Sugi Predict

Sugi Predict / Compounds / SCHEMBL78346

SCHEMBL78346

SCHEMBL78346

Nc1ccc(N2CCCC2=O)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.50
▸ SLC6A4 P31645 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ HPGD P15428 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ AKR1C3 P42330 2/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43

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
SCHEMBL6028503 0.87 PPOX (0.55) SLC6A2SLC6A4ALDH1A1SLC6A3HPGD
SCHEMBL6431344 0.86 SLC6A2 (0.65) SLC6A2SLC6A4ALDH1A1SLC6A3HPGD
SCHEMBL15157023 0.84 ALDH1A1 (0.54) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL7816315 0.83 ALDH1A1 (0.56) SLC6A2SLC6A4ALDH1A1SLC6A3HPGD
SCHEMBL26920629 0.83 SLC6A2 (0.50) SLC6A2SLC6A4ALDH1A1SLC6A3HPGD
SCHEMBL12362764 0.82 ALDH1A1 (0.53) SLC6A2SLC6A4ALDH1A1SLC6A3HPGD
SCHEMBL7548885 0.80 HSD17B10 (0.59) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL3551615 0.80 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL12493709 0.80 PPOX (0.55) SLC6A2SLC6A4ALDH1A1SLC6A3HPGD
SCHEMBL12362768 0.79 ALDH1A1 (0.53) SLC6A2SLC6A4ALDH1A1SLC6A3HPGD

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103517903-B Pyrrolopyridine aminoderivative as MPS1 inhibitor 癌症研究科技有限公司 2017-03-01 — — CN disclosed
US-9371319-B2 Pyrrolopyridineamino derivatives as MPS1 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-06-21 — — US disclosed
EP-2686318-B1 PYRROLOPYRIDINEAMINO DERIVATIVES AS MPS1 INHIBITORS CANCER REC TECH LTD (GB) 2016-03-09 — — EP disclosed
EP-2686318-A1 PYRROLOPYRIDINEAMINO DERIVATIVES AS MPS1 INHIBITORS Cancer Research Technology Ltd (GB) 2014-01-22 — — EP disclosed
CN-103517903-A Pyrrolopyridineamino derivatives as MPS1 inhibitors CANCER REC TECH LTD 2014-01-15 — — CN disclosed
US-20130345181-A1 PYRROLOPYRIDINEAMINO DERIVATIVES AS MPS1 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-12-26 — — US disclosed
WO-2012123745-A1 PYRROLOPYRIDINEAMINO DERIVATIVES AS MPS1 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-09-20 — — WO disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 — — US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 — — US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 — — US disclosed
EP-1549304-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GmbH (DE) 2005-07-06 — — EP disclosed
WO-2004087646-A2 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2004-10-14 — — WO disclosed
WO-2004087696-A1 PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES MERCK PATENT GMBH (DE) 2004-10-14 — — WO disclosed
CN-1518541-A Phenyl derivatives Ĭ��ר���ɷ����޹�˾ 2004-08-04 — — CN disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 — — WO disclosed
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 — — US disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 — — EP disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 — — EP disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 — — WO disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 — — 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 (3 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-20130345181-A1 PYRROLOPYRIDINEAMINO DERIVATIVES AS MPS1 INHIBITORS BUB1B, BUB1, PPM1D SLC6A2 4525/4885SLC6A4 4535/4885ALDH1A1 2678/4885
US-20040082563-A1 Phenyl derivatives 3 F2, F11, F12 SLC6A2 4483/4885SLC6A4 4440/4885ALDH1A1 739/4885
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R SLC6A2 1523/4885SLC6A4 1736/4885ALDH1A1 1743/4885

“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.