SCHEMBL2673449

SCHEMBL2673449

CCc1cc(-c2ncnn2C)c(C)nc1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CDH1 P12830 1/20 0.33
▸ TCF4 P15884 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ APC P25054 1/20 0.33
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL2674308 0.79 BRD9 (0.32) TYK2
SCHEMBL2673740 0.72 APOBEC3A (0.37) KDM4ENPC1LMNAMAPTTSHR
SCHEMBL2673093 0.70 APOBEC3A (0.33) —
SCHEMBL5709766 0.69 SMPD3 (0.38) CYP3A4CYP2C9KDM4EALDH1A1HCRTR1
SCHEMBL2673207 0.69 APOBEC3A (0.37) CYP3A4KDM4ENPC1ALDH1A1LMNA
SCHEMBL2673255 0.69 GRIK1 (0.40) CYP3A4CYP2C9HTR2CKDM4ENPC1
SCHEMBL2673810 0.68 HSD17B10 (0.40) KDM4EALDH1A1TSHR
SCHEMBL2672881 0.68 APOBEC3A (0.38) KDM4ENPC1ALDH1A1LMNATP53
SCHEMBL2674115 0.68 APOBEC3A (0.47) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL2672868 0.68 BRD4 (0.37) KDM4EALDH1A1POLBMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213700-A1 PREPARATION OF TERMINALLY UNSATURATED (METH)ACRYLATE CROSSLINKERS RÖHM GMBH (DE) 2023-11-09 — — WO disclosed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
EP-1732897-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-12-20 — — EP disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 — — EP disclosed
EP-1732446-A2 METHODS AND DEVICES FOR IDENTIFYING TERRORISTS/CRIMINAL SUSPECTS BY DETECTING CONTACT OF HUMAN SKIN WITH RUBBER PROTECTIVE GEAR THE JOHNS-HOPKINS UNIVERSITY (US) 2006-12-20 — — EP disclosed
US-20060084077-A1 Methods and devices for identifying terrorists/criminal suspects by detecting contact of human skin with rubber protective gear JOHNS HOPKINS UNIVERSITY 2006-04-20 — — US disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 — — WO disclosed
WO-2005097752-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-20 — — WO disclosed
WO-2005087099-A2 METHODS AND DEVICES FOR IDENTIFYING TERRORISTS/CRIMINAL SUSPECTS BY DETECTING CONTACT OF HUMAN SKIN WITH RUBBER PROTECTIVE GEAR JOHNS HOPKINS UNIVERSITY (US) 2005-09-22 — — 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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 CYP3A4 987/4885CYP2C9 1835/4885HTR2C 1006/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 CYP3A4 987/4885CYP2C9 1835/4885HTR2C 1006/4885

“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.

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