SCHEMBL12859522

SCHEMBL12859522

CNc1cc(N2CCCC2)nc(SC)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 4/20 0.64
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ KMT2A Q03164 1/20 0.48
▸ CHRM3 P20309 2/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ HRH4 Q9H3N8 5/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL13299617 0.79 NUDT1 (0.68) NUDT1KDM4EKMT2ACHRM3PDE4A
SCHEMBL9217636 0.79 NUDT1 (0.68) NUDT1KDM4EMAPTKMT2AHRH4
SCHEMBL5806017 0.78 NUDT1 (0.66) NUDT1KDM4EKMT2ACHRM3PDE4A
SCHEMBL9182925 0.78 NUDT1 (1.00) NUDT1HRH4CRHBPCRHR2SMN1; SMN2
SCHEMBL10878260 0.78 MEN1 (0.43) NUDT1KDM4EMAPTRXFP1KMT2A
SCHEMBL10830610 0.77 HRH4 (0.53) NUDT1KDM4EMAPTRXFP1KMT2A
SCHEMBL18019807 0.77 NUDT1 (1.00) NUDT1HRH4CRHBPCRHR2SMN1; SMN2
SCHEMBL17979734 0.75 NUDT1 (0.93) NUDT1HRH4CRHBPCRHR2SMN1; SMN2
SCHEMBL16211680 0.75 KMT2A (0.74) NUDT1KDM4EMAPTRXFP1KMT2A
SCHEMBL10650101 0.74 KMT2A (0.63) KDM4EMAPTRXFP1KMT2ACRHBP

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-20140303137-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-09 — — US disclosed
US-20110046104-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-24 — — US disclosed
US-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 — — 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 (3 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-20110046104-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB NUDT1 301/4885KDM4E 754/4885MAPT 954/4885
US-20140303137-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB NUDT1 301/4885KDM4E 754/4885MAPT 954/4885
US-20100137305-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB NUDT1 301/4885KDM4E 754/4885MAPT 954/4885

“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.

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