SCHEMBL4080666

SCHEMBL4080666

COc1ccc(N2CCN(c3nc(-c4ccccc4)c(C#N)s3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CETP P11597 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
CCNA2 P20248 3/20 0.48
CDK2 P24941 3/20 0.48
CDK1 P06493 2/20 0.48
CDK4 P11802 2/20 0.48
CCNB1 P14635 2/20 0.48
CCND1 P24385 2/20 0.48
CDK7 P50613 2/20 0.48
CCNH P51946 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
SIRT1 Q96EB6 1/20 0.47

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
SCHEMBL347930 0.81 ALDH1A1 (0.63) KMT2ASMN1; SMN2CETPALDH1A1MAPT
SCHEMBL4085482 0.80 AR (0.65) KMT2ACETPALDH1A1MAPTHSD17B10
SCHEMBL4091068 0.80 ALDH1A1 (0.65) KMT2ACETPALDH1A1MAPTHSD17B10
SCHEMBL4093773 0.79 ALDH1A1 (0.61) KMT2ASMN1; SMN2CETPALDH1A1MAPT
SCHEMBL347552 0.77 PTGDR2 (0.62) KMT2ACETPALDH1A1MAPTKDM4E
SCHEMBL347742 0.75 CA12 (0.55) KMT2ACETPALDH1A1MAPTKDM4E
SCHEMBL347743 0.75 CA12 (0.55) KMT2ACETPALDH1A1MAPTKDM4E
SCHEMBL4086525 0.75 DHODH (0.59) KMT2ASMN1; SMN2CETPALDH1A1MAPT
SCHEMBL348279 0.75 CETP (0.56) KMT2ACETPALDH1A1MAPTHPGD
SCHEMBL347881 0.75 KMT2A (0.54) KMT2ASMN1; SMN2CETPALDH1A1MAPT

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-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists ARGENTA DISCOVERY LIMITED (GB) 2009-09-03 US disclosed
EP-1922312-A1 THIAZOLE COMPOUNDS AND THEIR USE AS PGD2 ANTAGONISTS Argenta Discovery Limited (GB) 2008-05-21 EP disclosed
WO-2007028999-A1 THIAZOLE COMPOUNDS AND THEIR USE AS PGD2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2007-03-15 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-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists PTGDR2, PTGDR, PTGER2 KMT2A 3556/4885SMN1; SMN2 3333/4885CETP 4678/4885

“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.