SCHEMBL7232111

SCHEMBL7232111

Cc1cc(-c2ccc3ccccc3c2)nc(N)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.74
CYP1A1 P04798 1/20 0.70
CYP1B1 Q16678 1/20 0.70
AURKA O14965 1/20 0.54
PDPK1 O15530 1/20 0.54
TGFBR1 P36897 1/20 0.54
ROCK1 Q13464 1/20 0.54
AURKB Q96GD4 1/20 0.54
ALDH1A1 P00352 2/20 0.51
AR P10275 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
GFER P55789 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSP90AA1 P07900 3/20 0.50

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
SCHEMBL15314447 0.87 CYP1A2 (0.96) CYP1A2CYP1A1CYP1B1AURKAPDPK1
SCHEMBL16805048 0.82 CYP1A2 (0.53) CYP1A2CYP1A1CYP1B1ALDH1A1AR
SCHEMBL28634614 0.82 CYP1A2 (0.53) CYP1A2CYP1A1CYP1B1ALDH1A1AR
SCHEMBL7386085 0.82 CYP1A2 (0.79) CYP1A2CYP1A1CYP1B1ALDH1A1AR
SCHEMBL6813816 0.82 ADORA2A (0.73) CYP1A2CYP1A1CYP1B1AURKAPDPK1
SCHEMBL14413322 0.79 CYP1A2 (0.74) CYP1A2CYP1A1CYP1B1ALDH1A1AR
SCHEMBL1104813 0.79 CYP1A1 (0.56) CYP1A2CYP1A1CYP1B1ALDH1A1KDM4E
SCHEMBL16805035 0.79 CYP1A2 (0.53) CYP1A2CYP1A1CYP1B1ALDH1A1AR
SCHEMBL1358738 0.77 RAB9A (0.61) AURKAPDPK1TGFBR1ROCK1AURKB
SCHEMBL20669851 0.77 CYP1A2 (0.56) CYP1A2CYP1A1CYP1B1ALDH1A1AR

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-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 EP disclosed
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 US disclosed
WO-2003006443-A2 2- 4-(NAPHTALIN-2-YL)-THIAZOL-2-YLAMINOCARBONYL BENZOIC ACID AND 2- 4-(NAPHTALIN-2-YL)-PYRIMIDIN-2-YLAMINOCARBONYL BENZOIC ACID AND ADDITIONAL COMPOUNDS SERVING AS TELOMERASE INHIBITORS FOR USE IN TUMOR THERAPY BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-23 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 (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-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 CYP1A2 732/4885CYP1A1 125/4885CYP1B1 105/4885

“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.