SCHEMBL3277360

SCHEMBL3277360

CC(C)Nc1cc(-c2nc[nH]n2)nc(Cl)c1-c1c(F)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.35
TYK2 P29597 1/20 0.34
MAPK14 Q16539 4/20 0.33
ORAI1 Q96D31 2/20 0.32
PTGES O14684 6/20 0.32
JAK2 O60674 1/20 0.32
FGFR1 P11362 1/20 0.31
CCNT1 O60563 1/20 0.31
WEE1 P30291 1/20 0.31
LIMK1 P53667 1/20 0.31
LIMK2 P53671 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 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
SCHEMBL3276721 0.84 BTK (0.34) NR4A2MAPK14ORAI1PTGESJAK2
SCHEMBL3277404 0.83 PTGES (0.37) ORAI1PTGESJAK2ALDH1A1
SCHEMBL13385463 0.82 CCR1 (0.42) NR4A2TYK2MAPK14LIMK1LIMK2
SCHEMBL13385490 0.78 NR4A2 (0.43) NR4A2PTGESFGFR1CCNT1MEN1
SCHEMBL13385493 0.77 CYP1A1 (0.36) NR4A2PTGES
SCHEMBL13385499 0.76 RAB9A (0.39) PTGESMEN1KMT2AKDM4EALDH1A1
SCHEMBL13385494 0.75 NR4A2 (0.37) NR4A2TYK2MAPK14PTGESFGFR1
SCHEMBL3279738 0.72 MAPK14 (0.43) TYK2MAPK14LIMK1LIMK2MEN1
SCHEMBL13385480 0.71 CCR1 (0.38) MAPK14LIMK1LIMK2MEN1KMT2A
SCHEMBL13385471 0.71 IDH1 (0.39) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695728-B2 2-substituted pyridines, processes for their preparation and their use for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2010-04-13 US disclosed
EP-1761516-B1 2, 4, 5, 6-SUBSTITUTED PYRIMIDINES, METHOD FOR THE PRODUCTION AND USE THEREOF FOR COMBATING PARASITIC FUNGI BASF AG (DE) 2007-11-28 EP disclosed
US-20070259919-A1 2-Substituted Pyridines, Processes for their Preparation and Their Use for Controlling Harmful Fungi BASF AKIENGESELLSCHAFT (DE) 2007-11-08 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-20070259919-A1 2-Substituted Pyridines, Processes for their Preparation and Their Use for Controlling Harmful Fungi CYP4X1, CYCS, CYP2S1 NR4A2 779/4885TYK2 2668/4885MAPK14 4299/4885

“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.