SCHEMBL10008911

SCHEMBL10008911

Cc1cc(-c2ccc(N(C)C)cc2)cnc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.54
FYN P06241 5/20 0.50
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2972043 0.86 PDGFRB (0.49) FYNPDGFRBPDGFRASMN1; SMN2MAPT
SCHEMBL28883695 0.82 MAP4K4 (0.61) MAP4K4FYNPDGFRBPDGFRANOS3
SCHEMBL29981431 0.82 MAP4K4 (0.61) MAP4K4FYNPDGFRBPDGFRANOS3
SCHEMBL313209 0.79 MAP4K4 (0.58) MAP4K4NOS3NOS1NOS2CYP3A4
SCHEMBL15785404 0.78 MAP4K4 (0.71) MAP4K4FYNNOS3NOS1NOS2
SCHEMBL29361094 0.78 MAP4K4 (0.71) MAP4K4FYNNOS3NOS1NOS2
SCHEMBL16835760 0.77 MAP4K4 (0.59) MAP4K4FYNNOS3NOS1NOS2
SCHEMBL18616321 0.76 PIK3CB (0.58) MAP4K4FYNAXLMERTK
SCHEMBL1585264 0.76 MAP4K4 (0.58) MAP4K4FYNNOS3NOS1NOS2
SCHEMBL2972199 0.75 MAPT (0.45) FYNPDGFRBPDGFRAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 US disclosed
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 US disclosed
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 US disclosed
WO-2012092471-A2 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 WO disclosed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 US disclosed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 US disclosed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 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-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME TUBB1, TUBA1C, TUBB MAP4K4 1510/4885FYN 768/4885PDGFRB 2736/4885

“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.