SCHEMBL20351900

SCHEMBL20351900

CC(C)(C)C(=O)Nc1cccc(-c2ccc3scnc3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.42
AURKA O14965 1/20 0.42
ADORA1 P30542 2/20 0.42
DYRK2 Q92630 3/20 0.42
TP53 P04637 1/20 0.41
RIPK2 O43353 2/20 0.41
KDR P35968 2/20 0.41
LCK P06239 1/20 0.41
TGFBR1 P36897 1/20 0.41
MCL1 Q07820 4/20 0.41
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
BTK Q06187 1/20 0.38
ITK Q08881 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24093862 0.87 CNR1 (0.48) TRPV3AURKAADORA1DYRK2RIPK2
SCHEMBL20383588 0.84 TRPV3 (0.45) TRPV3AURKAADORA1DYRK2RIPK2
SCHEMBL22355136 0.84 TRPV3 (0.47) TRPV3AURKAADORA1DYRK2TP53
SCHEMBL20329759 0.78 ADORA1 (0.43) ADORA1TP53KDREPHB4TEK
SCHEMBL21790174 0.76 TP53 (0.53) AURKATP53RIPK2KDRLCK
SCHEMBL9508191 0.75 HSD11B1 (0.58) AURKATP53LCKLMNAMAPT
SCHEMBL921576 0.71 L3MBTL1 (0.54) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1852264 0.70 TGFBR1 (0.46) TRPV3RIPK2KDRTGFBR1ALOX5AP
SCHEMBL20329760 0.69 ADORA1 (0.40) ADORA1KDREPHB4TEKCYP1A2
SCHEMBL3301424 0.68 CYP17A1 (0.53) AURKARIPK2KDRLCKTGFBR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-12-15 US disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 US disclosed
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 US disclosed
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 US disclosed
US-20210122733-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-04-29 US disclosed
US-10919884-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-02-16 US disclosed
US-10807952-B2 Compounds for treatment of immune inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-20 US disclosed
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 US disclosed
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 US disclosed
US-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210122733-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH TRPV3 4561/4885AURKA 3016/4885ADORA1 1582/4885
US-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH TRPV3 4299/4885AURKA 2017/4885ADORA1 2190/4885
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH TRPV3 2684/4885AURKA 1399/4885ADORA1 889/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH TRPV3 3738/4885AURKA 2750/4885ADORA1 2402/4885
US-10919884-B2 Amide compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH TRPV3 4299/4885AURKA 2017/4885ADORA1 2190/4885
US-10807952-B2 Compounds for treatment of immune inflammatory disorders CFD, TFPI, CFH TRPV3 4180/4885AURKA 4117/4885ADORA1 2501/4885
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH TRPV3 3738/4885AURKA 2750/4885ADORA1 2402/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH TRPV3 3194/4885AURKA 2983/4885ADORA1 1414/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH TRPV3 3194/4885AURKA 2983/4885ADORA1 1414/4885
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH TRPV3 3194/4885AURKA 2983/4885ADORA1 1414/4885
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH TRPV3 4561/4885AURKA 3016/4885ADORA1 1582/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH TRPV3 4180/4885AURKA 4117/4885ADORA1 2501/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH TRPV3 3194/4885AURKA 2983/4885ADORA1 1414/4885
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH TRPV3 3738/4885AURKA 2750/4885ADORA1 2402/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.