SCHEMBL1698523

SCHEMBL1698523

CC(C)n1cnccc1=S

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
DYRK1A Q13627 2/20 0.35
NFATC1 O95644 1/20 0.35
GSK3B P49841 1/20 0.35
LMNA P02545 1/20 0.33
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL1106522 0.74 CYP3A4 (0.43) TDP1POLBALDH1A1MAPK13MAPK12
SCHEMBL12676371 0.70
SCHEMBL1698495 0.65 NFATC1 (0.35) ALDH1A1MEN1KMT2ADYRK1ANFATC1
SCHEMBL1698501 0.64 ESR1 (0.44) TDP1ALDH1A1KMT2ALMNAHSD17B10
SCHEMBL11593990 0.64
SCHEMBL9963202 0.63 CYP3A4 (0.41) TDP1ALDH1A1GSK3B
SCHEMBL22108984 0.63 CYP3A4 (0.41) TDP1ALDH1A1GSK3B
SCHEMBL21733178 0.63
SCHEMBL14733934 0.63 CYP3A4 (0.41) TDP1ALDH1A1GSK3B
SCHEMBL20083791 0.61 CYP3A4 (0.40) ALDH1A1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20110118244-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20110118244-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7763608-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-7763608-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 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 (5 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-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TDP1 1622/4885POLB 3219/4885ALDH1A1 911/4885
US-20110118244-A2 FACTOR XA INHIBITORS TFPI, F12, F11 TDP1 1622/4885POLB 3219/4885ALDH1A1 911/4885
US-20100249117-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TDP1 1622/4885POLB 3219/4885ALDH1A1 911/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TDP1 1622/4885POLB 3219/4885ALDH1A1 911/4885
US-20120088795-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TDP1 1622/4885POLB 3219/4885ALDH1A1 911/4885

“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.