SCHEMBL13449341

SCHEMBL13449341

CCCC(c1cccc(-c2ncc(OCC)cn2)c1)c1nn(-c2cnn(C)c2)ccc1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
MET P08581 1/20 0.32
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSA P10619 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
HSD17B13 Q7Z5P4 1/20 0.30
ALKBH1 Q13686 1/20 0.30

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
SCHEMBL13449340 0.93 BRD4 (0.34) BRD4CCL2METNPC1TSHR
SCHEMBL2266777 0.89 MET (0.35) BRD4CCL2METNPC1TSHR
SCHEMBL2224149 0.89 BRD4 (0.35) BRD4CCL2METNPC1TSHR
SCHEMBL2221640 0.88 MET (0.34) BRD4CCL2METNPC1TSHR
SCHEMBL2219713 0.87 BRD4 (0.34) BRD4CCL2METNPC1TSHR
SCHEMBL13275071 0.86 RXRA (0.34) METFGFR3KDRALKBH1
SCHEMBL2343899 0.85 MET (0.36) METFGFR3KDR
SCHEMBL2266279 0.85 MET (0.36) METFGFR3KDR
SCHEMBL2266323 0.85 IRAK1 (0.36) METFGFR3KDRHSD17B13ALKBH1
SCHEMBL2266377 0.83 MET (0.34) BRD4CCL2METCTSAFGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 BRD4 880/4885CCL2 2542/4885MET 2/4885

“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.