SCHEMBL12410481

SCHEMBL12410481

Cc1cc2c(Cl)ncnc2n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
MEN1 O00255 1/20 0.33
NR2F2 P24468 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ENPP1 P22413 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SRC P12931 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
LRRK2 Q5S007 1/20 0.31
HSD17B10 Q99714 2/20 0.30

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
SCHEMBL21893424 0.80 CASP1 (0.35) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL22509663 0.79 SELE (0.34) SELEVCAM1PDE4APDE4BPDE4C
SCHEMBL17148436 0.79 SELE (0.34) SELEVCAM1PDE4APDE4BPDE4C
SCHEMBL5560155 0.79 ADORA2A (0.35) SELEVCAM1PDE4APDE4BPDE4C
SCHEMBL19304013 0.77 KDM4E (0.33) SELEVCAM1PDE4APDE4BPDE4C
SCHEMBL22658512 0.75 SLC22A12 (0.34) SELEVCAM1PDE4APDE4BPDE4C
SCHEMBL18656790 0.75 MEN1 (0.36) SELEVCAM1PDE4APDE4BPDE4C
SCHEMBL24654982 0.74 ADORA3 (0.30) PI4KAPI4K2BPI4K2API4KB
SCHEMBL21893826 0.74 YTHDC1 (0.46) MEN1KMT2AALDH1A1KDM4ESRC
SCHEMBL18547854 0.74 SLC22A12 (0.39) SELEVCAM1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306529-A2 FGFR INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-01-17 EP disclosed
WO-2020231990-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2020-11-19 WO disclosed
WO-2017046738-A1 TRIAZOLONE COMPOUNDS AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
US-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-7612092-B2 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 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 (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-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 SELE 4808/4885VCAM1 4567/4885PDE4A 4853/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 SELE 4788/4885VCAM1 4473/4885PDE4A 4851/4885

“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.