SCHEMBL4063059

SCHEMBL4063059

O=C1CCc2nc(Cl)nc(Nc3cccc(F)c3)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.45
▸ KDR P35968 3/20 0.41
▸ BUB1 O43683 3/20 0.40
▸ STK10 O94804 1/20 0.39
▸ SLK Q9H2G2 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ FADS1 O60427 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR7 P34969 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
SCHEMBL20298987 0.77 KMT2A (0.52) GRM5KDRABCG2LMNAEGFR
SCHEMBL375687 0.75 PDE4B (0.44) GRM5KDRABCG2LMNAEGFR
SCHEMBL4063171 0.73 KDR (0.40) GRM5KDRABCG2LMNAEGFR
SCHEMBL20299032 0.70 ABCG2 (0.68) ABCG2TAAR1LMNAKDM4EEGFR
SCHEMBL29019911 0.69 CTSC (0.52) KDRJAK2ABCG2EGFR
SCHEMBL30394423 0.69 CTSC (0.52) KDRJAK2ABCG2EGFR
SCHEMBL2874930 0.69 NFKB1 (0.65) TAAR1LMNAKDM4ENPC1RAB9A
SCHEMBL20319866 0.68 MKNK1 (0.55) HTR1ADRD2HTR2AHTR2CHTR7
SCHEMBL22606145 0.67 KDR (0.47) KDRJAK2ABCG2TAAR1LMNA
SCHEMBL2995233 0.67 BRAF (0.51) KDRJAK2ABCG2EGFRFADS1

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-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — 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 (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-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT GRM5 1336/4885KDR 1604/4885BUB1 2002/4885

“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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