SCHEMBL20488598

SCHEMBL20488598

COC(=O)Cn1nc(C(C)=O)c2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ELANE P08246 8/20 0.46
▸ CASP3 P42574 2/20 0.44
▸ CDK1 P06493 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ CFD P00746 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL29545654 0.86 ELANE (0.39) MAPTALDH1A1KDM4ESMN1; SMN2ELANE
SCHEMBL18549431 0.86 ELANE (0.39) MAPTALDH1A1KDM4ESMN1; SMN2ELANE
SCHEMBL12480168 0.86 MAPT (0.48) MAPTALDH1A1KMT2AHTTKDM4E
SCHEMBL29781783 0.85 PTGDR2 (0.44) ALDH1A1HTTLMNAELANECFD
SCHEMBL18549405 0.85 PTGDR2 (0.44) ALDH1A1HTTLMNAELANECFD
SCHEMBL29426519 0.85 TSHR (0.47) ALDH1A1KMT2AHTTKDM4ELMNA
SCHEMBL26732855 0.85 TSHR (0.50) ALDH1A1KMT2AHTTKDM4ELMNA
SCHEMBL26732856 0.85 TSHR (0.47) ALDH1A1KMT2AHTTKDM4ELMNA
SCHEMBL29426548 0.85 TSHR (0.50) ALDH1A1KMT2AHTTKDM4ELMNA
SCHEMBL24819639 0.84 CASP3 (0.51) MAPTALDH1A1KMT2AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162860-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-12-10 — — US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 — — US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 — — US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 — — 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-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 — — 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-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-12-15 — — US disclosed
EP-3985002-A1 ARYL, HETEROARY, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2022-04-20 — — EP 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-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 — — US disclosed
CN-110603252-A Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders 艾其林医药公司 2019-12-20 — — CN disclosed
WO-2018160889-A1 ARYL, HETEROARY, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-09-07 — — WO 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 (6 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-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH MAPT 4400/4885ALDH1A1 2545/4885KMT2A 3955/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH MAPT 4491/4885ALDH1A1 2338/4885KMT2A 4295/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH MAPT 4491/4885ALDH1A1 2338/4885KMT2A 4295/4885
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH MAPT 4491/4885ALDH1A1 2338/4885KMT2A 4295/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH MAPT 4491/4885ALDH1A1 2338/4885KMT2A 4295/4885
US-12162860-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH MAPT 4491/4885ALDH1A1 2338/4885KMT2A 4295/4885

“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.

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