SCHEMBL6744849

SCHEMBL6744849

O=C1Cc2ccc(-c3ccccn3)cc2N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.55
CRBN Q96SW2 3/20 0.52
AHR P35869 3/20 0.49
PDK2 Q15119 2/20 0.49
CMA1 P23946 2/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
EIF2AK2 P19525 1/20 0.46
MET P08581 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
TDP2 O95551 1/20 0.43
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
ADRA1A P35348 1/20 0.42
KDR P35968 2/20 0.42
CHEK1 O14757 1/20 0.42

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
SCHEMBL29899623 1.00 KDM1A (0.55) KDM1ACRBNAHRPDK2CMA1
SCHEMBL5768340 0.88 PDE3B (0.61) CRBNAHRPDK2PDE3BPDE3A
SCHEMBL6741494 0.83 CRBN (0.54) KDM1ACRBNAHRPDK2CMA1
SCHEMBL16322861 0.81 EIF2AK2 (0.49) KDM1ACRBNAHRPDK2CMA1
SCHEMBL6742260 0.81 KDM1A (0.54) KDM1ACRBNAHRPDK2CMA1
SCHEMBL4408889 0.79 TDP2 (0.65) CRBNAHRPDK2CMA1PDE3B
SCHEMBL16090416 0.78 ALDH1A1 (0.55) AHRPDK2PDE3BPDE3AMET
SCHEMBL13680567 0.77 CRBN (0.53) KDM1ACRBNAHRPDK2CMA1
SCHEMBL6847845 0.77 KDM1A (0.49) KDM1ACRBNAHRPDK2CMA1
SCHEMBL6844435 0.77 KDM1A (0.52) KDM1ACRBNAHRPDK2CMA1

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 13 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
EP-3010914-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-27 EP disclosed
WO-2014202493-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-24 WO disclosed
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 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 KDM1A 4107/4885CRBN 342/4885AHR 3572/4885
US-11542274-B1 Therapeutic compounds and methods of use thereof MDM2, SUMO2, XIAP KDM1A 2903/4885CRBN 33/4885AHR 3357/4885

“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.