SCHEMBL10258573

SCHEMBL10258573

COC(=O)CCCN(C)Cc1cc(Nc2cc(Nc3ccc(OC)c(OCCN)c3)ncn2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 4/20 0.41
DHFR P00374 2/20 0.39
EGFR P00533 8/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
CSF1R P07333 3/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
ERBB2 P04626 3/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL463793 0.93 EGFR (0.43) FGFR3DHFREGFRMAPTTP53
SCHEMBL10266876 0.86 MAPT (0.38) FGFR3DHFREGFRMAPTTP53
SCHEMBL414296 0.80 EGFR (0.42) FGFR3EGFR
SCHEMBL415727 0.80 KDR (0.42) FGFR3EGFRERBB2
SCHEMBL463788 0.69 SUV39H2 (0.40) FGFR3EGFRERBB2
SCHEMBL13214934 0.69 DHFR (0.35) DHFREGFRMAPTHDAC3HDAC4
SCHEMBL13215013 0.68 EGFR (0.44) DHFREGFRMAPTHDAC3HDAC4
SCHEMBL463785 0.67 KDR (0.40) EGFRERBB2
SCHEMBL415816 0.66 RET (0.47) FGFR3EGFRERBB2
SCHEMBL13214940 0.66 DHFR (0.41) DHFREGFRMAPTTP53POLB

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 6 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-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-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 FGFR3 536/4885DHFR 748/4885EGFR 1090/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 FGFR3 639/4885DHFR 749/4885EGFR 1611/4885

“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.