SCHEMBL2275460

SCHEMBL2275460

Cn1cc(-c2cnc(-c3cccc(Cl)c3)nc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
CSF1R P07333 1/20 0.51
RET P07949 1/20 0.51
FLT3 P36888 1/20 0.51
NEK2 P51955 1/20 0.51
IRAK1 P51617 10/20 0.48
IRAK4 Q9NWZ3 8/20 0.48
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
MET P08581 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ALK Q9UM73 1/20 0.45

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
SCHEMBL15416640 0.88 IRAK1 (0.59) IRAK1IRAK4
SCHEMBL15416440 0.78 IRAK1 (0.55) IRAK1IRAK4
SCHEMBL15415744 0.78 IRAK1 (0.55) IRAK1IRAK4
SCHEMBL16907850 0.77 IRAK4 (0.57) IRAK1IRAK4
SCHEMBL15416288 0.77 CHEK1 (0.55) FLT3IRAK1IRAK4
SCHEMBL15416393 0.76 IRAK1 (0.56) IRAK1IRAK4MET
SCHEMBL30952714 0.74 PFKFB3 (0.49) AURKACSF1RRETFLT3NEK2
SCHEMBL15431248 0.74 IRAK4 (0.47) IRAK1IRAK4
SCHEMBL20280719 0.74 IRAK4 (0.60) IRAK1IRAK4
SCHEMBL15416320 0.74 IRAK4 (0.52) IRAK1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
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
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 AURKA 494/4885CSF1R 402/4885RET 4/4885

“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.