SCHEMBL1787033

SCHEMBL1787033

O=c1[nH]cnc2occ(-c3ccccc3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
SRC P12931 1/20 0.50
DYRK1A Q13627 1/20 0.47
PDPK1 O15530 2/20 0.46
MAPT P10636 7/20 0.45
LMNA P02545 4/20 0.45
GAA P10253 3/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PARP1 P09874 2/20 0.38
CA12 O43570 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
SCHEMBL18956077 0.85 CA12 (0.43) RAB9ASMN1; SMN2NPC1SRCDYRK1A
SCHEMBL1788065 0.81 RAB9A (0.41) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL2181717 0.81 SIRT5 (0.57) RAB9ASMN1; SMN2NPC1PDPK1MAPT
SCHEMBL22528923 0.79 ADORA1 (0.39) RAB9ASMN1; SMN2NPC1SRCKMT2A
SCHEMBL22528845 0.77 CHEK1 (0.59) RAB9ASMN1; SMN2NPC1DYRK1APDPK1
SCHEMBL737611 0.74 TNK2 (0.52) RAB9ASMN1; SMN2NPC1SRCDYRK1A
SCHEMBL22528854 0.74 PDPK1 (0.40) PDPK1GAAHTTHPGDPARP1
SCHEMBL22528928 0.74 PARP1 (0.37) RAB9ANPC1PDPK1MAPTLMNA
SCHEMBL14013962 0.73 PARP1 (0.44) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL20911745 0.71 NPC1 (0.54) RAB9ASMN1; SMN2NPC1SRCDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473434-B Substituted quinolone derivative or pharmaceutically acceptable salt or stereoisomer thereof, and medicinal composition and application thereof 上海海和药物研究开发股份有限公司 2021-11-23 CN disclosed
EP-3339294-B1 QUINOLONE DERIVATIVE, PHARMACEUTICAL ACCEPTABLE SALT, OR STEREOISOMER THEREOF AS AXL INHIBIOTOR SHANGHAI HAIHE PHARMACEUTICAL CO LTD (CN) 2021-04-14 EP disclosed
US-10683278-B2 Substituted quinolone derivatives, or pharmaceutically acceptable salts or stereoisomers thereof, and pharmaceutical compositions and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2020-06-16 US disclosed
US-10683278-B2 Substituted quinolone derivatives, or pharmaceutically acceptable salts or stereoisomers thereof, and pharmaceutical compositions and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2020-06-16 US disclosed
US-20180265496-A1 SUBSTITUTED QUINOLONE DERIVATIVES, OR PHARMACEUTICALLY ACCEPTABLE SALTS OR STEREOISOMERS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND USE THEREOF JINAN UNIVERSITY (CN) 2018-09-20 US disclosed
CN-108473434-A Substituted quinolone analog derivative or its pharmaceutically acceptable salt or stereoisomer and its Pharmaceutical composition and application 暨南大学 2018-08-31 CN disclosed
EP-3339294-A1 PHARMACEUTICAL COMPOSITION AND APPLICATION REPLACING QUINOLONE DERIVATIVE, PHARMACEUTICAL ACCEPTABLE SALT, OR STEREOISOMER Jinan University (CN) 2018-06-27 EP disclosed
WO-2017028797-A1 PHARMACEUTICAL COMPOSITION AND APPLICATION REPLACING QUINOLONE DERIVATIVE, PHARMACEUTICAL ACCEPTABLE SALT, OR STEREOISOMER 暨南大学 2017-02-23 WO disclosed
EP-2838901-B1 6-(4-(1-AMINO-3-HYDROXYCYCLOBUTYL)PHENYL)-5-PHENYL(FURO, THIENO OR PYRROLO)[2,3-D]PYRIMIDIN-4-ONE DERIVATIVES FOR THE TREATMENT OF CANCER ALMAC DISCOVERY LTD (GB) 2016-11-02 EP disclosed
US-9156853-B2 AKT inhibitor compounds for treatment of cancer ALMAC DISCOVERY LIMITED (GB) 2015-10-13 US disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1966217-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
EP-1768986-A2 FURANOPYRIMIDINES Amgen Inc. (US) 2007-04-04 EP disclosed
US-20060040961-A1 Furanopyrimidines AMGEN INC. 2006-02-23 US disclosed
WO-2006004658-A2 FURANOPYRIMIDINES AMGEN INC. (US) 2006-01-12 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-20180265496-A1 SUBSTITUTED QUINOLONE DERIVATIVES, OR PHARMACEUTICALLY ACCEPTABLE SALTS OR STEREOISOMERS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND USE THEREOF NRAS, AXL, ABL1 RAB9A 757/4885SMN1; SMN2 4166/4885NPC1 3553/4885
US-20060040961-A1 Furanopyrimidines TYMS, IDO1, NFATC1 RAB9A 3209/4885SMN1; SMN2 1350/4885NPC1 4144/4885
US-10683278-B2 Substituted quinolone derivatives, or pharmaceutically acceptable salts or stereoisomers thereof, and pharmaceutical compositions and use thereof NRAS, AXL, ABL1 RAB9A 757/4885SMN1; SMN2 4166/4885NPC1 3553/4885

“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.