SCHEMBL3984131

SCHEMBL3984131

NC(=O)c1cc(-c2ccc(Nc3ccccn3)cc2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3989788 0.84 MEN1 (0.53) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL3981042 0.83 SMN1; SMN2 (0.48) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL3989981 0.81 MEN1 (0.43) MEN1ALDH1A1KMT2AJAK2RAB9A
SCHEMBL4277897 0.78 TP53 (0.45) MEN1ALDH1A1KMT2AJAK2JAK3
SCHEMBL3984137 0.78 NOTUM (0.58) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3985673 0.77 RAB9A (0.64) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL3981746 0.75 SMN1; SMN2 (0.61) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL3989641 0.75 CYP3A4 (0.53) MEN1ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL10837371 0.74 ROCK1 (0.59) MEN1KMT2AJAK2JAK3RAB9A
SCHEMBL27193314 0.74 JAK2 (0.51) JAK2JAK3RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP claimed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US claimed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 US claimed
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 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 (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-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor TFPI, TFPI2, F12 MEN1 3908/4885ALDH1A1 468/4885KMT2A 1515/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MEN1 1740/4885ALDH1A1 974/4885KMT2A 3673/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MEN1 1740/4885ALDH1A1 974/4885KMT2A 3673/4885

“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.