SCHEMBL22046445

SCHEMBL22046445

C=COCCONC(=O)c1c(Nc2ccc(SC)cc2F)sc2ncccc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 10/20 0.37
MAP2K2 P36507 3/20 0.37
LIPG Q9Y5X9 2/20 0.32
CLK1 P49759 1/20 0.32
TP53 P04637 1/20 0.31
PIM1 P11309 1/20 0.31
CAMK2B Q13554 1/20 0.31
EGFR P00533 1/20 0.30
KDR P35968 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL30034961 1.00 MAP2K1 (0.37) MAP2K1MAP2K2LIPGCLK1TP53
SCHEMBL20565713 0.89 MAP2K1 (0.46) MAP2K1MAP2K2KCNH2
SCHEMBL30033664 0.89 MAP2K1 (0.46) MAP2K1MAP2K2KCNH2
SCHEMBL20565706 0.86 MAP2K1 (0.42) MAP2K1MAP2K2CLK1EGFRKCNH2
SCHEMBL30034332 0.86 MAP2K1 (0.42) MAP2K1MAP2K2CLK1EGFRKCNH2
SCHEMBL24349717 0.81 MAP2K1 (0.44) MAP2K1MAP2K2LIPGCLK1
SCHEMBL20565710 0.80 DHODH (0.39) MAP2K1MAP2K2LIPGCLK1
SCHEMBL30034948 0.80 DHODH (0.39) MAP2K1MAP2K2LIPGCLK1
SCHEMBL24349753 0.78 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL20565262 0.76 MAP2K1 (0.57) MAP2K1MAP2K2KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4233834-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFlection Therapeutics, Inc. (US) 2023-08-30 EP disclosed
EP-4233865-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS NFlection Therapeutics, Inc. (US) 2023-08-30 EP disclosed
US-20230013227-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFLECTION THERAPEUTICS, INC. 2023-01-19 US disclosed
US-11542271-B2 Fused heteroaromatic-aniline compounds for treatment of dermal disorders NFLECTION THERAPEUTICS, INC. (US) 2023-01-03 US disclosed
EP-3624795-B1 FUSED HETEROAROMATIC-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS INC (US) 2022-04-20 EP disclosed
US-20210380601-A1 FUSED HETEROAROMATIC-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS, INC. 2021-12-09 US disclosed
US-10988483-B2 Fused heteroaromatic-aniline compounds for treatment of dermal disorders NFLECTION THERAPEUTICS, INC. (MA) 2021-04-27 US disclosed
US-20200172550-A1 FUSED HETEROAROMATIC-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS, INC. 2020-06-04 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 (5 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-20230013227-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS HTR3C, NDUFA13, NDUFAF3 MAP2K1 4087/4885MAP2K2 3533/4885LIPG 4675/4885
US-20210380601-A1 FUSED HETEROAROMATIC-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS TYR, CYP19A1, BRAF MAP2K1 58/4885MAP2K2 37/4885LIPG 2847/4885
US-10988483-B2 Fused heteroaromatic-aniline compounds for treatment of dermal disorders TYR, CYP19A1, BRAF MAP2K1 59/4885MAP2K2 34/4885LIPG 2830/4885
US-20200172550-A1 FUSED HETEROAROMATIC-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS TYR, CYP19A1, BRAF MAP2K1 59/4885MAP2K2 34/4885LIPG 2830/4885
US-11542271-B2 Fused heteroaromatic-aniline compounds for treatment of dermal disorders TYR, CYP19A1, BRAF MAP2K1 58/4885MAP2K2 37/4885LIPG 2847/4885

“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.