SCHEMBL4903651

SCHEMBL4903651

O=C(Nc1ccc(Nc2nccc(-c3cccnc3)n2)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 17/20 0.64
▸ OPRM1 P35372 1/20 0.64
▸ KCNH2 Q12809 1/20 0.64
▸ BCR P11274 9/20 0.62
▸ PDGFRB P09619 8/20 0.62
▸ PDGFRA P16234 8/20 0.62
▸ HDAC1 Q13547 1/20 0.62
▸ PRKCA P17252 5/20 0.60
▸ SRC P12931 3/20 0.60
▸ PRKCD Q05655 3/20 0.60
▸ PRKD3 O94806 1/20 0.60
▸ PRKCG P05129 1/20 0.60
▸ PRKCB P05771 1/20 0.60
▸ PRKCH P24723 1/20 0.60
▸ PRKCI P41743 1/20 0.60
▸ PRKCE Q02156 1/20 0.60
▸ PRKCQ Q04759 1/20 0.60
▸ PRKCZ Q05513 1/20 0.60
▸ PRKD1 Q15139 1/20 0.60
▸ ABL2 P42684 1/20 0.60

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
SCHEMBL14043504 0.92 ABL1 (0.76) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL4892458 0.89 PDGFRA (0.78) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL4897346 0.87 ABL1 (0.67) ABL1BCRPDGFRBPDGFRAHDAC1
SCHEMBL4897416 0.85 TRPV1 (0.53) ABL1
SCHEMBL4903275 0.84 ABL1 (0.81) ABL1BCRPDGFRBPDGFRAHDAC1
SCHEMBL4903136 0.83 PDGFRA (0.82) ABL1BCRPDGFRBPDGFRAHDAC1
SCHEMBL4905733 0.83 PDGFRA (0.77) ABL1BCRPDGFRBPDGFRAHDAC1
SCHEMBL4901659 0.83 ABL1 (0.81) ABL1BCRPDGFRBPDGFRAHDAC1
SCHEMBL4904803 0.83 ABL1 (0.66) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL3863391 0.81 PDGFRA (0.78) ABL1BCRPDGFRBPDGFRAHDAC1

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
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 — — US claimed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 — — EP claimed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 — — WO claimed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 — — 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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP ABL1 2843/4885OPRM1 3721/4885KCNH2 2558/4885

“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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