SCHEMBL4821294

SCHEMBL4821294

CSc1ncnn2ccc(CNCCCNC(=O)O)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.38
ERBB2 P04626 7/20 0.35
EGFR P00533 7/20 0.35
KDM4E B2RXH2 1/20 0.33
AAK1 Q2M2I8 5/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TTBK1 Q5TCY1 1/20 0.31
TTBK2 Q6IQ55 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14017264 0.75 ERBB2 (0.38) ERBB2EGFRAAK1KDRTTBK1
SCHEMBL21561513 0.72 ERBB2 (0.41) ERBB2EGFRAAK1KDRTTBK1
SCHEMBL1220334 0.68 EGFR (0.43) METERBB2EGFRAAK1FLT1
SCHEMBL12883243 0.64 ERBB2 (0.55) ERBB2EGFRAAK1KDR
SCHEMBL19133494 0.60 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2
SCHEMBL19133481 0.60 SMN1; SMN2 (0.41) KDM4EALDH1A1SMN1; SMN2
SCHEMBL20482981 0.59 HTR1A (0.44) KDM4E
SCHEMBL16247086 0.58 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL5442009 0.58 CHRM2 (0.66) KDM4EALDH1A1MEN1KMT2A
SCHEMBL20641195 0.58 NAMPT (0.47) KDM4EALDH1A1SMN1; SMN2

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
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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 (3 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MET 721/4885ERBB2 32/4885EGFR 408/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MET 2109/4885ERBB2 162/4885EGFR 1009/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MET 721/4885ERBB2 32/4885EGFR 408/4885

“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.