SCHEMBL4170654

SCHEMBL4170654

CNc1ccc(NC(=N)N)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
KDR P35968 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
AR P10275 4/20 0.37
LMNA P02545 4/20 0.37
PDK1 Q15118 1/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
EPHX1 P07099 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL27685300 0.78 KDR (0.66) MEN1KMT2AKDRTRPV1LMNA
SCHEMBL11882975 0.74 MAPT (0.47) MEN1KMT2ATSHRLMNAHTT
SCHEMBL6752797 0.73 NPFFR1 (0.41) TSHRKDRLMNAPDK1MAPT
SCHEMBL13880194 0.72 IDO1 (0.40) MEN1KMT2AALOX15LMNAHTT
Hydrochloric Acid SCHEMBL3366769 0.72 NPFFR1 (0.41) TSHRKDRLMNAPDK1MAPT
SCHEMBL4150792 0.71 CDK4 (0.48) KDRMAPTSMN1; SMN2KCNH2
SCHEMBL14089903 0.71 IMPDH2 (0.40) KDRARLMNAMAPTEPHX1
SCHEMBL29761404 0.71 CDK4 (0.48) KDRMAPTSMN1; SMN2KCNH2
SCHEMBL10156481 0.71 TSHR (0.55) APPMEN1KMT2AALOX15TSHR
Nitric Acid SCHEMBL6034740 0.71 AR (0.47) ALOX15TSHRMAPK1KDRAR

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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 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 (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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 APP 4473/4885MEN1 2980/4885KMT2A 1239/4885

“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.