SCHEMBL2264172

SCHEMBL2264172

O=Cc1ccc(-n2cc3ccccc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
KCNJ1 P48048 1/20 0.45
ESR2 Q92731 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
PTGS2 P35354 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 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
SCHEMBL7848179 0.86 ESR2 (0.55) KDM4ESMN1; SMN2ESR2KMT2AMEN1
SCHEMBL2979520 0.80 ESR2 (0.62) KDM4ESMN1; SMN2ESR2KMT2AMEN1
SCHEMBL2264062 0.78 ESR2 (0.43) ALDH1A1KDM4EMAPK1SMN1; SMN2KCNJ1
SCHEMBL2264359 0.78 ESR2 (0.43) ALDH1A1KDM4EMAPK1SMN1; SMN2KCNJ1
SCHEMBL3853197 0.77 ESR2 (0.47) ALDH1A1KDM4ESMN1; SMN2ESR2KMT2A
SCHEMBL2264916 0.77 ESR2 (0.47) KDM4ESMN1; SMN2ESR2KMT2AMEN1
SCHEMBL14036890 0.77 ESR2 (0.47) SMN1; SMN2ESR2KMT2AMEN1NPC1
SCHEMBL1872721 0.77 ESR2 (0.65) SMN1; SMN2ESR2KMT2AMEN1NPC1
SCHEMBL14005778 0.77 ADORA3 (0.54) SMN1; SMN2ESR2KMT2AMEN1NPC1
SCHEMBL1712561 0.77 ADORA3 (0.54) ALDH1A1SMN1; SMN2ESR2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986896-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 US disclosed
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-11-05 US 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-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 ALDH1A1 325/4885KDM4E 3023/4885MAPK1 2474/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 ALDH1A1 325/4885KDM4E 3023/4885MAPK1 2474/4885

“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.