SCHEMBL404910

SCHEMBL404910

Cc1cc(C#N)c(N)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.58
CYP3A4 P08684 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
AR P10275 1/20 0.36
TSHR P16473 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
KHK P50053 1/20 0.35
KDM4E B2RXH2 2/20 0.33
CSNK1A1 P48729 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
USP2 O75604 1/20 0.32
SLC22A12 Q96S37 2/20 0.32

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
SCHEMBL406316 0.92 CD44 (0.58) CD44CYP3A4GAAPOLBKMT2A
SCHEMBL5287616 0.82 TSHR (0.48) CD44CYP3A4GAAKMT2AALDH1A1
SCHEMBL404475 0.82 GAA (0.46) CD44CYP3A4GAAKMT2AALDH1A1
SCHEMBL13868310 0.80 CD44 (0.41) CD44CYP3A4POLBKMT2AALDH1A1
SCHEMBL14675697 0.79 AHR (0.40) CD44CYP3A4GAAKMT2ATRPV4
SCHEMBL24252420 0.77 CD44 (0.38) CD44POLBKMT2AALDH1A1AR
SCHEMBL16320147 0.77 TSHR (0.37) CYP3A4POLBKMT2AALDH1A1TSHR
SCHEMBL19931598 0.76 CD44 (0.41) CD44CYP3A4POLBKMT2AALDH1A1
SCHEMBL28408336 0.76 TRPV4 (0.43) CD44POLBKMT2AALDH1A1AR
SCHEMBL404670 0.75 EGLN2 (0.39) GAAALDH1A1TSHRTRPV4KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
EP-1155012-B1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER REC TECH LTD (GB) 2004-04-14 EP disclosed
US-6699861-B1 ANTI-CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-02 US disclosed
WO-2002014349-A2 NON-COVALENT INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2002-02-21 WO disclosed
EP-1155012-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES Cancer Research Ventures Limited (GB) 2001-11-21 EP disclosed
WO-2000050417-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER RESEARCH VENTURES LIMITED (GB) 2000-08-31 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CD44 825/4885CYP3A4 2376/4885GAA 3072/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CD44 825/4885CYP3A4 2376/4885GAA 3072/4885

“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.