SCHEMBL1337545

SCHEMBL1337545

[c]1nc(-c2nccs2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.39
PDPK1 O15530 1/20 0.38
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
CYP2A6 P11509 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
SYK P43405 3/20 0.33
METAP1 P53582 1/20 0.33
CYP1A1 P04798 4/20 0.33
CYP1A2 P05177 4/20 0.33
CYP1B1 Q16678 4/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL102331 0.68 PDPK1 (0.59) HSP90AA1RAB9APDPK1ADORA2AADORA1
SCHEMBL1467709 0.67 KDM4E (0.31)
SCHEMBL1389231 0.67 HSP90AA1 (0.42) HSP90AA1RAB9APDPK1ADORA2AADORA1
SCHEMBL222697 0.67 HSP90AA1 (0.42) HSP90AA1RAB9APDPK1ADORA2AADORA1
SCHEMBL31556353 0.66 PDPK1 (0.56) HSP90AA1RAB9APDPK1ADORA2AADORA1
SCHEMBL28154527 0.66 PDPK1 (0.56) HSP90AA1RAB9APDPK1ADORA2AADORA1
SCHEMBL30534095 0.66 PDPK1 (0.56) HSP90AA1RAB9APDPK1ADORA2AADORA1
SCHEMBL30632310 0.66 PDPK1 (0.56) HSP90AA1RAB9APDPK1ADORA2AADORA1
SCHEMBL30511083 0.66
SCHEMBL2710465 0.65 KDM4E (0.48) RAB9ALOXL2CYP2A6CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012639-B2 Copper complexes for optoelectronic applications CYNORA GMBH (DE) 2015-04-21 US claimed
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2010-12-09 US claimed
EP-2188255-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS AstraZeneca AB (SE) 2010-05-26 EP claimed
WO-2009027746-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2009-03-05 WO claimed
EP-1040100-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS Pfizer Products Inc. (US) 2000-10-04 EP claimed
WO-1999023076-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PFIZER PRODUCTS INC. (US) 1999-05-14 WO claimed
EP-0714397-A4 1996-06-26 EP claimed
EP-0714397-A1 PHENETHYLAMINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-05 EP claimed
WO-1995005386-A1 PHENETHYLAMINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-02-23 WO claimed
US-20240158347-A1 PSYCHOTROPIC AGENTS AND USES THEREOF LB PHARMACEUTICALS INC. 2024-05-16 US disclosed
US-20240150283-A1 PSYCHOTROPIC AGENTS AND USES THEREOF LB PHARMACEUTICALS INC. 2024-05-09 US disclosed
US-20240115547-A1 PSYCHOTROPIC AGENTS AND USES THEREOF LB PHARMACEUTICALS INC. 2024-04-11 US disclosed
EP-4340825-A1 PSYCHOTROPIC AGENTS AND USES THEREOF LB Pharmaceuticals Inc. (US) 2024-03-27 EP disclosed
US-11827645-B2 Spiro-γ-Lactams, and preparation method and use thereof Chongqing University of Arts and Sciences (CN) 2023-11-28 US disclosed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 EP disclosed
WO-1999023077-A1 INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-05-14 WO disclosed
WO-1999023076-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PFIZER PRODUCTS INC. (US) 1999-05-14 WO disclosed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed
EP-0039892-B1 SUBSTITUTED PHENYL ETHERS CIBA-GEIGY AG (CH) 1986-12-30 EP disclosed
US-4559354-A ADRENERGIC BLOCKING AGENTS AND STIMULANTS; CARDIOTONIC, ANTIARRHYTHMIA AND INOTROPIC AGENTS CIBA-GEIGY CORPORATION (US) 1985-12-17 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-20240115547-A1 PSYCHOTROPIC AGENTS AND USES THEREOF HTR2A, HTR7, HTR3B HSP90AA1 2554/4885RAB9A 933/4885PDPK1 1514/4885
US-20240150283-A1 PSYCHOTROPIC AGENTS AND USES THEREOF HTR2A, HTR2C, HTR2B HSP90AA1 2826/4885RAB9A 448/4885PDPK1 1296/4885
US-11827645-B2 Spiro-γ-Lactams, and preparation method and use thereof KRAS, CEL, STS HSP90AA1 578/4885RAB9A 107/4885PDPK1 1545/4885
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS SHH, GLI1, HRH4 HSP90AA1 2380/4885RAB9A 1639/4885PDPK1 1063/4885
US-20240158347-A1 PSYCHOTROPIC AGENTS AND USES THEREOF HTR2A, HTR2C, HTR2B HSP90AA1 2826/4885RAB9A 448/4885PDPK1 1296/4885

“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.