SCHEMBL6738468

SCHEMBL6738468

CCNc1ccc(F)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
RAPGEF4 Q8WZA2 2/20 0.39
MAPT P10636 5/20 0.37
CYP3A4 P08684 2/20 0.37
RECQL P46063 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
GRM4 Q14833 1/20 0.37
AR P10275 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL18893492 0.86 HTT (0.44) ALDH1A1HTTRAPGEF4MAPTCYP3A4
SCHEMBL1800645 0.83 KMT2A (0.50) ALDH1A1HTTMAPTCYP3A4RECQL
SCHEMBL29659123 0.83 MAPT (0.46) ALDH1A1HTTRAPGEF4MAPTCYP3A4
SCHEMBL631579 0.83 MAPT (0.46) ALDH1A1HTTRAPGEF4MAPTCYP3A4
SCHEMBL15827436 0.82 ALDH1A1 (0.49) ALDH1A1HTTRAPGEF4MAPTGAA
SCHEMBL1803111 0.80 ALDH1A1 (0.55) ALDH1A1HTTMAPTCYP3A4RECQL
SCHEMBL30536438 0.80 ALDH1A1 (0.55) ALDH1A1HTTMAPTCYP3A4RECQL
SCHEMBL20714856 0.80 MAPT (0.43) ALDH1A1HTTRAPGEF4MAPTCYP3A4
SCHEMBL5003764 0.80 ABL1 (0.54) ALDH1A1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL16966569 0.78 ABL1 (0.44) ALDH1A1MAPTCYP3A4RECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
WO-2023138362-A1 WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2023-07-27 WO disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 US disclosed
US-7928135-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2011-04-19 US disclosed
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 US disclosed
US-20110034529-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-02-10 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2009-06-25 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-20040082661-A1 Urea derivatives having vanilloid receptor (vr1) antagonist activity SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-29 US disclosed
EP-1366020-A1 UREA DERIVATIVES HAVING VANILLOID RECEPTOR (VR1) ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-12-03 EP disclosed
WO-2002072536-A1 UREA DERIVATIVES HAVING VANILLOID RECEPTOR (VR1) ANTAGONIST ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 2002-09-19 WO disclosed
US-4912258-A A 4-fluoroaniline compound BOEHRINGER MANNHEIM GMBH (DE) 1990-03-27 US disclosed
EP-0161482-B1 FLUORINATED ANILINE DERIVATIVES AND THEIR USE Roche Diagnostics GmbH (DE) 1989-09-13 EP disclosed
EP-0161482-A1 Fluorinated aniline derivatives and their use Roche Diagnostics GmbH (DE) 1985-11-21 EP 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 (8 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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 ALDH1A1 3252/4885HTT 1673/4885RAPGEF4 677/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885HTT 2894/4885RAPGEF4 1758/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885HTT 2894/4885RAPGEF4 1758/4885
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 ALDH1A1 2373/4885HTT 545/4885RAPGEF4 2442/4885
US-20040082661-A1 Urea derivatives having vanilloid receptor (vr1) antagonist activity UTS2R, TRPV1, VRK1 ALDH1A1 1337/4885HTT 3672/4885RAPGEF4 1636/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 ALDH1A1 2373/4885HTT 545/4885RAPGEF4 2442/4885
US-20110034529-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 ALDH1A1 1049/4885HTT 3158/4885RAPGEF4 3156/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 ALDH1A1 3252/4885HTT 1673/4885RAPGEF4 677/4885

“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.