Sugi Predict

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SCHEMBL415816

SCHEMBL415816

COc1ccc(Nc2cc(Nc3ccc(Cl)c(CO)c3)ncn2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.47
▸ KIF5B P33176 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ EGFR P00533 9/20 0.47
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ERBB3 P21860 4/20 0.43
▸ RAF1 P04049 2/20 0.43
▸ BRAF P15056 2/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ EPHB4 P54760 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ TNNI3K Q59H18 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ FGFR1 P11362 1/20 0.41

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
SCHEMBL1321972 0.85 RET (0.60) RETKIF5BKDREGFRMEN1
SCHEMBL15486963 0.81 RET (0.54) RETKIF5BKDREGFRMEN1
SCHEMBL15486411 0.80 ALDH1A1 (0.64) —
SCHEMBL463788 0.76 SUV39H2 (0.40) KDREGFRFGFR3EPHB4ERBB2
SCHEMBL2175687 0.74 EGFR (0.57) EGFRMEN1KMT2AERBB3EPHB4
SCHEMBL3421008 0.73 TNNI3K (0.52) EGFRMEN1KMT2AERBB3BRAF
SCHEMBL2064584 0.73 EGFR (0.44) RETKIF5BKDREGFRERBB3
SCHEMBL27625432 0.72 KDR (0.52) RETKIF5BKDREGFRMEN1
SCHEMBL2179448 0.72 EGFR (0.60) EGFRMEN1KMT2AERBB3EPHB4
SCHEMBL15486220 0.71 USP2 (0.72) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 — — US disclosed
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 — — US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 — — US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 — — US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 — — US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 — — US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 — — US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 — — 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 (2 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 RET 936/4885KIF5B 3805/4885KDR 2587/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 RET 1227/4885KIF5B 3674/4885KDR 2891/4885

“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.