SCHEMBL5067972

SCHEMBL5067972

CCc1ncc2cc[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.38
NUDT1 P36639 2/20 0.38
KDR P35968 2/20 0.36
FGFR1 P11362 1/20 0.36
CDK8 P49336 7/20 0.36
MAPK1 P28482 3/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
RIPK1 Q13546 2/20 0.34
OGA O60502 1/20 0.34
BRD4 O60885 1/20 0.33
PRKCI P41743 1/20 0.33
APP P05067 1/20 0.33
PLK4 O00444 1/20 0.32
DCLK1 O15075 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 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
SCHEMBL12986192 0.82 FGFR1 (0.36) AXLNUDT1KDRFGFR1CDK8
SCHEMBL29080063 0.81 CDK8 (0.42) AXLNUDT1KDRFGFR1CDK8
SCHEMBL24836074 0.80
SCHEMBL18239042 0.78 ADORA2A (0.50) AXLNUDT1PRKCI
SCHEMBL20971320 0.77 AXL (0.35) AXLNUDT1KDRFGFR1CDK8
SCHEMBL30731141 0.77 AXL (0.35) AXLNUDT1KDRFGFR1CDK8
SCHEMBL28081599 0.74 CYP2D6 (0.39) AXLNUDT1KDRFGFR1CDK8
SCHEMBL4217784 0.74 AXL (0.42) AXLNUDT1KDRFGFR1CDK8
SCHEMBL29540564 0.73 FGFR1 (0.33) AXLNUDT1KDRFGFR1RIPK1
SCHEMBL30083279 0.73 RIPK1 (0.38) NUDT1KDRCDK8MAPK1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS SYNGENE INTERNATIONAL LIMITED (IN) 2023-04-20 US disclosed
US-10544143-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-20190185469-A1 4-AZAINDOLE COMPOUNDS SYNGENE INTERNATIONAL LIMITED (IN) 2019-06-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO disclosed
US-8268871-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 US disclosed
US-8172873-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2012-05-08 US disclosed
US-20110251364-A1 Shape Memory Polymers NATIONAL SCIENCE FOUNDATION 2011-10-13 US disclosed
US-7935131-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2011-05-03 US disclosed
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 US disclosed
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 US disclosed
US-20080177303-A1 Shape memory polymers ROCHESTER, UNIVERSITY OF 2008-07-24 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 (6 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-10544143-B2 4-azaindole compounds TLR7, TLR9, TLR5 AXL 2842/4885NUDT1 726/4885KDR 2257/4885
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 AXL 1522/4885NUDT1 2326/4885KDR 1965/4885
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B AXL 4522/4885NUDT1 2084/4885KDR 4469/4885
US-20190185469-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 AXL 2842/4885NUDT1 726/4885KDR 2257/4885
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 AXL 4413/4885NUDT1 1862/4885KDR 4086/4885
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS TLR1, TLR3, TLR9 AXL 1174/4885NUDT1 687/4885KDR 1558/4885

“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.