SCHEMBL954299

SCHEMBL954299

Cc1nc2ccc(Br)cn2c1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.56
TGFBR1 P36897 1/20 0.53
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
POLB P06746 3/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
G6PD P11413 1/20 0.49
GAA P10253 4/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PSD A5PKW4 1/20 0.40

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
SCHEMBL4256814 0.86 KMT2A (0.58) EPHB3ALDH1A1KDM4EPOLBLMNA
SCHEMBL954716 0.86 EPHB3 (0.57) EPHB3ALDH1A1KDM4EPOLBLMNA
SCHEMBL12850522 0.84 EPHB3 (0.60) EPHB3ALDH1A1KDM4EPOLBLMNA
SCHEMBL953778 0.84 EPHB3 (0.50) EPHB3TGFBR1ALDH1A1KDM4EPOLB
SCHEMBL3283016 0.84 TGFBR1 (0.55) TGFBR1ALDH1A1KDM4EPOLBLMNA
SCHEMBL6223693 0.80 MAPK1 (0.63) EPHB3ALDH1A1KDM4EPOLBLMNA
SCHEMBL18766608 0.80 EPHB3 (0.58) EPHB3ALDH1A1KDM4EPOLBLMNA
SCHEMBL29690171 0.79 EPHB3 (0.51) EPHB3ALDH1A1KDM4EPOLBLMNA
SCHEMBL24654226 0.79 TGFBR1 (0.51) EPHB3TGFBR1ALDH1A1KDM4EPOLB
Formic Acid SCHEMBL29424228 0.79 TGFBR1 (0.51) TGFBR1ALDH1A1KDM4EPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 EPHB3 4319/4885TGFBR1 529/4885ALDH1A1 1687/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 EPHB3 2375/4885TGFBR1 501/4885ALDH1A1 728/4885

“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.