SCHEMBL6330936

SCHEMBL6330936

c1ccc(-c2cnc(Nc3cccc4ccccc34)s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.62
CCR4 P51679 1/20 0.57
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
P2RY1 P47900 1/20 0.49
ROCK1 Q13464 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
CSF1R P07333 1/20 0.49
PDGFRB P09619 1/20 0.49
MAP2K2 P36507 1/20 0.49
CDK7 P50613 1/20 0.49

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
SCHEMBL6328597 0.80 KDR (0.64) KDRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4601921 0.80 KDR (0.53) KDRCCR4MAPTNPC1CASP3
SCHEMBL14582257 0.78 CCR4 (0.47) CCR4MAPTNPC1CASP3RAB9A
SCHEMBL22725707 0.77 KDR (0.56) KDRP2RY1ROCK1
SCHEMBL3651635 0.77 KDR (1.00) KDRROCK1
SCHEMBL6330245 0.77 KDR (0.70) KDRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27650805 0.73 KDR (0.55) KDRP2RY1ABL1LCKCSF1R
SCHEMBL16947037 0.73 ULK1 (0.54) CCR4MAPTNPC1CASP3RAB9A
SCHEMBL6328402 0.73 KDR (0.68) KDRABL1LCKCSF1RPDGFRB
SCHEMBL6336582 0.72 KDR (0.63) KDRMAPTNPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050228031-A1 Tyrosine kinase inhibitors BILODEAU MARK T 2005-10-13 US claimed
US-20050228031-A1 Tyrosine kinase inhibitors BILODEAU MARK T 2005-10-13 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-20050228031-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CCR4 2804/4885MAPT 1182/4885

“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.