SCHEMBL4262145

SCHEMBL4262145

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(Cl)nc(N2CCOCC2)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 8/20 0.48
▸ BRAF P15056 6/20 0.45
▸ RAF1 P04049 4/20 0.45
▸ P2RX1 P51575 1/20 0.44
▸ TMPRSS4 Q9NRS4 1/20 0.44
▸ CCR2 P41597 1/20 0.43
▸ MLYCD O95822 1/20 0.42

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
SCHEMBL4263362 0.83 TRPV4 (0.46) TACR1CCR2
SCHEMBL30796136 0.72 TACR1 (0.45) TACR1BRAFRAF1
SCHEMBL2129300 0.72 TACR1 (0.45) TACR1BRAFRAF1
SCHEMBL30794770 0.71 NAPEPLD (0.50) TACR1BRAFRAF1
SCHEMBL2129332 0.71 NAPEPLD (0.50) TACR1BRAFRAF1
SCHEMBL30794896 0.69 NAPEPLD (0.50) TACR1BRAFRAF1
SCHEMBL2130620 0.69 NAPEPLD (0.50) TACR1BRAFRAF1
SCHEMBL2129798 0.69 KCNQ3 (0.50) TACR1BRAFRAF1
SCHEMBL2130613 0.69 BRAF (0.48) TACR1BRAFRAF1
SCHEMBL2130908 0.69 BRAF (0.48) TACR1BRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1473295-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2009-04-01 — — EP disclosed
US-6995153-B2 Fused bicyclic pyrimidine derivatives KYORIN PHARMACEUTICAL. CO., LTD. (JP) 2006-02-07 — — US disclosed
US-20050085469-A1 Fused bicyclic pyrimidine derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 — — US disclosed
EP-1473295-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES Kyorin Pharmaceutical Co., Ltd. (JP) 2004-11-03 — — EP 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-20050085469-A1 Fused bicyclic pyrimidine derivatives BDKRB1, BDKRB2, TACR1 TACR1 3/4885BRAF 968/4885RAF1 561/4885

“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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