SCHEMBL1949079

SCHEMBL1949079

N=C(NO)c1ccc(N)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CYP3A4 P08684 5/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 5/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
THRB P10828 2/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
MAOA P21397 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL29616566 0.80 SMN1; SMN2 (0.50) JAK2TYK2TSHRALDH1A1ALOX15
SCHEMBL4145427 0.80 SMN1; SMN2 (0.50) JAK2TYK2TSHRALDH1A1ALOX15
SCHEMBL4680773 0.78 FLT1 (0.43) ALDH1A1HPGDGAAHTTMEN1
SCHEMBL3276332 0.78 HSD17B10 (0.46) CA1CA2CYP3A4ALDH1A1HSD17B10
SCHEMBL1439041 0.77 CRBN (0.37) JAK2TYK2CYP3A4ALDH1A1GAA
SCHEMBL23148979 0.73 PDE2A (0.44) JAK2TYK2ALDH1A1HSD17B10HPGD
SCHEMBL29616591 0.73 PDE2A (0.44) JAK2TYK2ALDH1A1HSD17B10HPGD
SCHEMBL3340478 0.73 TYK2 (0.51) JAK2TYK2CYP3A4ALDH1A1HPGD
SCHEMBL29042305 0.72 KMT2A (0.43) JAK2TYK2ALDH1A1ALOX15HPGD
SCHEMBL641433 0.71 POLB (0.54) JAK2TYK2TSHRALDH1A1HPGD

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
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
EP-2373634-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 JAK2 643/4885TYK2 3419/4885CA1 3212/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 JAK2 643/4885TYK2 3419/4885CA1 3212/4885

“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.