SCHEMBL1693808

SCHEMBL1693808

Brc1cnn2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 1.00
SMPD3 Q9NY59 3/20 0.60
CDK2 P24941 1/20 0.55
BMP4 P12644 1/20 0.45
JAK1 P23458 2/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
PDE10A Q9Y233 1/20 0.41
IRAK4 Q9NWZ3 5/20 0.40
HTT P42858 1/20 0.40
HSD11B1 P28845 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL15556011 0.75 AXL (0.60) AXLSMPD3CDK2BMP4PRKAB2
SCHEMBL84781 0.75 SMPD3 (0.60) AXLSMPD3CDK2BMP4JAK1
SCHEMBL28947639 0.75 SMPD3 (0.66) AXLSMPD3CDK2BMP4JAK1
SCHEMBL15336871 0.75 SMPD3 (0.60) AXLSMPD3CDK2BMP4JAK1
SCHEMBL5791049 0.75 SMPD3 (1.00) AXLSMPD3CDK2BMP4JAK1
Hydrochloric Acid SCHEMBL7798075 0.73 SMPD3 (0.96) AXLSMPD3CDK2BMP4JAK1
SCHEMBL24198248 0.71 SMPD3 (0.59) AXLSMPD3CDK2BMP4JAK1
SCHEMBL3157134 0.71 CDK2 (0.69) AXLSMPD3CDK2BMP4JAK1
SCHEMBL803428 0.71 SMPD3 (0.55) AXLSMPD3CDK2BMP4JAK1
SCHEMBL4546565 0.71 SMPD3 (0.55) AXLSMPD3CDK2BMP4JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4741392-A1 1H-PYRAZOLO[4,3-C]PYRIDINE COMPOUND, AND COMPOSITION THEREOF AND USE THEREOF Shenzhen TargetRx Co., Ltd. (CN) 2026-05-13 EP disclosed
US-12583870-B2 Azaheteroaryl compound and application thereof SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2026-03-24 US disclosed
US-20260028328-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2026-01-29 US disclosed
EP-4665734-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS Novartis AG (CH) 2025-12-24 EP disclosed
EP-4558490-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-05-28 EP disclosed
CN-119562946-A Heteroaryl derivatives as DDR inhibitors 奇斯药制品公司 2025-03-04 CN disclosed
US-20250051309-A1 MK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2025-02-13 US disclosed
WO-2025007863-A1 1H-PYRAZOLO[4,3-C]PYRIDINE COMPOUND, AND COMPOSITION THEREOF AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2025-01-09 WO disclosed
CN-119241532-A 1H-pyrazolo [4,3-c ] pyridine compound, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2025-01-03 CN disclosed
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors INITIAL THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
WO-2009085913-A1 PYRAZOLO [1,5-a] PYRIMIDINES USEFUL AS JAK2 INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-09 WO disclosed
WO-2008116139-A2 N-HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 WO disclosed
US-7405299-B2 Compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
US-20080058351-A1 Deuterated pyrazolo(1,5-a)pyrimidine compounds; sedative or hypnotic agents; sleep disorders such as insomnia; modulating a GABA receptor-chloride ionophore complex in a cell through binding to the neurosteroid site on the complex CONCERT PHARMACEUTICALS INC. (US) 2008-03-06 US disclosed
WO-2008005471-A2 NOVEL HETEROBICYCLIC COMPOUNDS CONCERT PHARMACEUTICALS INC. (US) 2008-01-10 WO disclosed
US-20060058295-A1 Novel compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-03-16 US disclosed
EP-1567527-A1 CONDENSED PYRAZOLO DERIVATIVES ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
WO-2004050659-A1 NOVEL COMPOUNDS AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-06-17 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 (7 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-20060058295-A1 Novel compounds as pharmaceutical agents TGFB1, TGFB2, TGFBR1 AXL 674/4885SMPD3 546/4885CDK2 1129/4885
US-20080058351-A1 Deuterated pyrazolo(1,5-a)pyrimidine compounds; sedative or hypnotic agents; sleep disorders such as insomnia; modulating a GABA receptor-chloride ionophore complex in a cell through binding to the neurosteroid site on the complex GABRA5, GABRA1, GABRA4 AXL 3608/4885SMPD3 3367/4885CDK2 1740/4885
US-12583870-B2 Azaheteroaryl compound and application thereof NR3C1, EED, EZH2 AXL 4418/4885SMPD3 3999/4885CDK2 1878/4885
US-20250051309-A1 MK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DUSP2, MKNK2, DUSP22 AXL 4655/4885SMPD3 708/4885CDK2 13/4885
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors MYCBP, MYC, MYCBP2 AXL 4823/4885SMPD3 4769/4885CDK2 290/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 AXL 724/4885SMPD3 1981/4885CDK2 73/4885
US-20260028328-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS DDR1, DDR2, DDRGK1 AXL 1295/4885SMPD3 3787/4885CDK2 513/4885

“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.