SCHEMBL18048962

SCHEMBL18048962

N#Cc1ccc(NC(=O)c2nccnc2NCc2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 2/20 0.52
▸ CTNNB1 P35222 5/20 0.52
▸ TCF7L2 Q9NQB0 5/20 0.52
▸ PDPK1 O15530 1/20 0.48
▸ NAMPT P43490 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ CXCR1 P25024 2/20 0.45
▸ CXCR2 P25025 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL18048945 0.87 KCNQ3 (0.49) VNN1CTNNB1TCF7L2PDPK1ALDH1A1
SCHEMBL18048981 0.85 KDR (0.56) VNN1PDPK1ALDH1A1KDM4ECXCR1
SCHEMBL18048998 0.84 ALDH1A1 (0.57) CTNNB1TCF7L2PDPK1ALDH1A1CXCR1
SCHEMBL18048985 0.83 KDR (0.60) VNN1CTNNB1TCF7L2PDPK1NAMPT
SCHEMBL18048984 0.82 KDR (0.45) CTNNB1TCF7L2PDPK1
SCHEMBL18049770 0.82 AR (0.51) CYP2C19
SCHEMBL18048975 0.82 NAMPT (0.47) CTNNB1TCF7L2PDPK1NAMPTALDH1A1
SCHEMBL18048972 0.81 KDR (0.61) CTNNB1TCF7L2PDPK1NAMPTMEN1
SCHEMBL18049009 0.79 PDPK1 (0.47) VNN1CTNNB1TCF7L2PDPK1ALDH1A1
Hydrochloric Acid SCHEMBL18049005 0.78 PDPK1 (0.46) VNN1CTNNB1TCF7L2PDPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO claimed
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
US-20150190400-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-07-09 — — 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 (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-20150190400-A1 THIOFLAVIN DERIVATIVES FOR USE IN THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION APP, PSEN2, MAPT VNN1 1234/4885CTNNB1 2623/4885TCF7L2 1494/4885

“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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