SCHEMBL23143545

SCHEMBL23143545

CN1C(=O)Cc2ccc(-c3ccncc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 16/20 0.47
ACVR1 Q04771 16/20 0.47
BMPR1A P36894 14/20 0.47
BMPR1B O00238 13/20 0.47
TRIM24 O15164 1/20 0.47
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
TGFBR1 P36897 9/20 0.44
CYP17A1 P05093 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CTSC P53634 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
SCHEMBL29899555 1.00 ACVRL1 (0.47) ACVRL1ACVR1BMPR1ABMPR1BTRIM24
SCHEMBL21013242 0.84 TRIM24 (0.46) ACVRL1ACVR1BMPR1ABMPR1BTRIM24
SCHEMBL16038502 0.78 ACVRL1 (0.43) ACVRL1ACVR1BMPR1ABMPR1BTRIM24
SCHEMBL8264145 0.77 FYN (0.48) ACVRL1ACVR1BMPR1ABMPR1BTRIM24
SCHEMBL22643366 0.76 TRIM24 (0.42) ACVRL1ACVR1BMPR1ABMPR1BTRIM24
SCHEMBL15869577 0.76 ACVRL1 (0.51) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL12045381 0.75 ACVRL1 (0.43) ACVRL1ACVR1BMPR1ABMPR1BTRIM24
SCHEMBL21234046 0.75 ASIC3 (0.43) ACVRL1ACVR1BMPR1ABMPR1BTRIM24
SCHEMBL15869576 0.74 ACVRL1 (0.50) ACVRL1ACVR1BMPR1ABMPR1BTGFBR1
SCHEMBL19155004 0.74 CHRM1 (0.48) ACVRL1ACVR1BMPR1ABMPR1BTRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542274-B1 Therapeutic compounds and methods of use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2023-01-03 US disclosed
US-11542274-B1 Therapeutic compounds and methods of use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2023-01-03 US disclosed
CN-114929670-A Therapeutic compounds and methods of use thereof 新加坡科技研究局 2022-08-19 CN disclosed
EP-4034526-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Agency for Science, Technology and Research (A*STAR) (SG) 2022-08-03 EP disclosed
US-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-05-20 US disclosed
US-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-05-20 US disclosed
WO-2021061053-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-04-01 WO disclosed
WO-2021061053-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-04-01 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 (2 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-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF UBQLN2, TXNRD1, TXNRD2 ACVRL1 4875/4885ACVR1 4850/4885BMPR1A 4251/4885
US-11542274-B1 Therapeutic compounds and methods of use thereof MDM2, SUMO2, XIAP ACVRL1 4569/4885ACVR1 4434/4885BMPR1A 3024/4885

“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.