SCHEMBL4005930

SCHEMBL4005930

CSc1cnn2c(N)cc(Cl)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL23242923 0.79 MEN1 (0.42) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL43057 0.76 KDM4E (0.40) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL11931303 0.76 CDK2 (0.56) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL14050801 0.75 CDK2 (0.50) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL23181597 0.75 KDM4E (0.40) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL13901524 0.72 KDM4E (0.38) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL13901473 0.71 CHEK1 (0.38) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL13901476 0.69 CHEK1 (0.41) CDK2CHEK1CCNA2CCNA1GSK3B
SCHEMBL3203580 0.69 MAPKAPK2 (0.49) MEN1KMT2AMAPTMAPK1CDK2
SCHEMBL11930832 0.68 HRH4 (0.49) TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20060189632-A1 Pyrazolo[1,5-A] pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2006-08-24 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 (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-20060189632-A1 Pyrazolo[1,5-A] pyrimidine derivatives MAP3K1, MAP3K5, MAP3K15 MEN1 1908/4885KMT2A 2562/4885MAPT 3584/4885

“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.