SCHEMBL29613696

SCHEMBL29613696

Cc1n[nH]c2cc(N)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.50
IMPDH2 P12268 2/20 0.46
PDPK1 O15530 6/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
JAK2 O60674 2/20 0.44
GSK3B P49841 1/20 0.44
PARP1 P09874 1/20 0.43
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
AURKA O14965 2/20 0.41
TGFBR1 P36897 1/20 0.41
ROCK1 Q13464 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL588513 1.00 AXL (0.50) AXLIMPDH2PDPK1ADORA2AADORA2B
Hydrochloric Acid SCHEMBL588415 0.98 AXL (0.49) AXLIMPDH2PDPK1ADORA2AADORA2B
SCHEMBL29644057 0.84 GSK3B (0.56) AXLIMPDH2PDPK1ADORA2AADORA2B
SCHEMBL266855 0.84 GSK3B (0.56) AXLIMPDH2PDPK1ADORA2AADORA2B
SCHEMBL922069 0.81 PDPK1 (0.65) AXLPDPK1JAK2FGFR1FGFR2
SCHEMBL12247 0.79 ITK (0.53) ADORA2AADORA2BCYP1A2
SCHEMBL31552439 0.79 ITK (0.53) ADORA2AADORA2BCYP1A2
SCHEMBL10131378 0.76 ADORA2A (0.46) PDPK1ADORA2AADORA2BJAK2FGFR1
SCHEMBL21937470 0.76 ADORA2A (0.46) PDPK1ADORA2AADORA2BJAK2FGFR1
SCHEMBL8212257 0.76 MAP2K4 (0.56) ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4603488-A1 NOVEL INDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF Korea University Research and Business Foundation (KR) 2025-08-20 EP disclosed
US-20240336592-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA PLC (GB) 2024-10-10 US disclosed
EP-4426688-A1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES Redx Pharma Plc (GB) 2024-09-11 EP disclosed
WO-2024080780-A1 NOVEL INDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF 고려대학교 산학협력단 2024-04-18 WO disclosed
WO-2023079291-A1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES REDX PHARMA PLC (GB) 2023-05-11 WO disclosed
EP-3983389-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2022-04-20 EP 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 (1 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-20240336592-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 DDR1, DDR2, DDRGK1 AXL 295/4885IMPDH2 2272/4885PDPK1 68/4885

“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.