SCHEMBL5175214

SCHEMBL5175214

Nc1nc(Nc2cccc(Br)c2)nc(-c2cccc(Br)c2)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.47
▸ SYK P43405 1/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ CDK1 P06493 2/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ABCG2 Q9UNQ0 3/20 0.42
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAD52 P43351 1/20 0.40

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
SCHEMBL4419371 0.79 HRH2 (0.47) MEN1KMT2ATP53NPC1KDM4E
SCHEMBL28753638 0.79 ADORA1 (0.59) KDRSYKABCG2EGFR
SCHEMBL27612697 0.78 RHOA (0.58) SYKMEN1KMT2ANPC1RAB9A
SCHEMBL28757179 0.76 ABL1 (0.52) SYKTP53NPC1KDM4ETSHR
SCHEMBL7564951 0.74 KDR (0.58) KDRSYKADRB2ABCG2ABCB1
SCHEMBL2779096 0.74 BRAF (0.52) KDRADRB2NPC1RAB9AABCG2
SCHEMBL1039755 0.71 MEN1 (0.50) KDRSYKMEN1KMT2ATP53
SCHEMBL16146408 0.68 BRAF (0.51) KDRADRB2CDK1CDK2EGFR
SCHEMBL30490523 0.68 NFKB1 (0.53) KDRCDK1MEN1KMT2ANPC1
SCHEMBL16146409 0.68 BRAF (0.66) CDK1CDK2

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
EP-1786783-A1 SYNTHESIS OF 2,4-PYRIMIDINEDIAMINE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2007-05-23 — — EP disclosed
US-20060058525-A1 Synthesis of 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. 2006-03-16 — — US disclosed
WO-2006028833-A1 SYNTHESIS OF 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2006-03-16 — — 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-20060058525-A1 Synthesis of 2,4-pyrimidinediamine compounds TYMS, DPYD, TYMP KDR 1306/4885SYK 2486/4885ADRB2 1772/4885

“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.

Send feedback