SCHEMBL1698536

SCHEMBL1698536

CC(C)N1NC(=O)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
POLB P06746 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
SCHEMBL1698511 0.79 CRBN (0.38) TDP1ALDH1A1MAPTTOP2ATOP2B
SCHEMBL22214027 0.69 AHR (0.43) GAAMEN1KMT2AMAPT
SCHEMBL1708928 0.67
SCHEMBL10853904 0.65 MEN1 (0.44) TDP1GAAMEN1KMT2AALDH1A1
SCHEMBL17791200 0.64 MAPT (0.33) TDP1GAAMEN1KMT2AALDH1A1
SCHEMBL31380893 0.64 MEN1 (0.43) TDP1GAAMEN1KMT2AALDH1A1
SCHEMBL1698646 0.62
SCHEMBL5955759 0.62
SCHEMBL5308594 0.60 NOTUM (0.32) GAAALDH1A1MAPTPOLB
SCHEMBL6956406 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591315-B2 Substituted pyrazole-pyrimidines, variants thereof, and uses therefore MERCK SHARP & DOHME LLC (US) 2023-02-28 US disclosed
US-20210171505-A1 SUBSTITUTED PYRAZOLE-PYRIMIDINES, VARIANTS THEREOF, AND USES THEREFORE Afferent Pharmaceuticals, Inc. (US) 2021-06-10 US disclosed
US-10988460-B2 Substituted pyrazole-pyrimidines, variants thereof, and uses therefore Afferent Pharmaceuticals, Inc. (US) 2021-04-27 US disclosed
US-20200239451-A1 SUBSTITUTED PYRAZOLE-PYRIMIDINES, VARIANTS THEREOF, AND USES THEREFORE Afferent Pharmaceuticals, Inc. (US) 2020-07-30 US disclosed
WO-2018111738-A1 SUBSTITUTED PYRAZOLE-PYRIMIDINES, VARIANTS THEREOF, AND USES THEREFORE Afferent Pharmaceuticals, Inc. (US) 2018-06-21 WO disclosed
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 1622/4885GAA 324/4885MEN1 1444/4885
US-20110118244-A2 FACTOR XA INHIBITORS TFPI, F12, F11 TDP1 1622/4885GAA 324/4885MEN1 1444/4885
US-11591315-B2 Substituted pyrazole-pyrimidines, variants thereof, and uses therefore P2RX3, P2RX5, P2RX1 TDP1 1297/4885GAA 2332/4885MEN1 4685/4885
US-20100249117-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TDP1 1622/4885GAA 324/4885MEN1 1444/4885
US-20210171505-A1 SUBSTITUTED PYRAZOLE-PYRIMIDINES, VARIANTS THEREOF, AND USES THEREFORE P2RX3, P2RX5, P2RX1 TDP1 1297/4885GAA 2332/4885MEN1 4685/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TDP1 1622/4885GAA 324/4885MEN1 1444/4885
US-20200239451-A1 SUBSTITUTED PYRAZOLE-PYRIMIDINES, VARIANTS THEREOF, AND USES THEREFORE P2RX3, P2RX5, P2RX1 TDP1 1240/4885GAA 2535/4885MEN1 4680/4885
US-10988460-B2 Substituted pyrazole-pyrimidines, variants thereof, and uses therefore P2RX3, P2RX5, P2RX1 TDP1 1240/4885GAA 2535/4885MEN1 4680/4885
US-20120088795-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TDP1 1622/4885GAA 324/4885MEN1 1444/4885

“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.