SCHEMBL10268291

SCHEMBL10268291

CCc1cccc(C(=O)N(C)Cc2ccncc2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
MMP13 P45452 1/20 0.52
HSD17B1 P14061 2/20 0.51
HSD17B2 P37059 2/20 0.51
NAMPT P43490 1/20 0.51
ACACB O00763 1/20 0.51
ROCK2 O75116 2/20 0.50
GRK2 P25098 1/20 0.50
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL1696616 0.89 KMT2A (0.61) KMT2AMEN1MMP13HSD17B1HSD17B2
SCHEMBL15676710 0.88 KMT2A (0.82) KMT2AMEN1HSD17B1HSD17B2HPGD
SCHEMBL30633434 0.86 MEN1 (0.60) KMT2AMEN1MMP13HSD17B1HSD17B2
SCHEMBL26981033 0.86 MEN1 (0.60) KMT2AMEN1MMP13HSD17B1HSD17B2
SCHEMBL1691705 0.85 KMT2A (0.59) KMT2AMEN1MMP13HSD17B1HSD17B2
SCHEMBL18970415 0.85 KMT2A (0.59) KMT2AMEN1MMP13HSD17B1HSD17B2
SCHEMBL15676751 0.84 KMT2A (0.66) KMT2AMEN1MMP13HSD17B1HSD17B2
SCHEMBL18773998 0.84 MEN1 (0.61) KMT2AMEN1MMP13HSD17B1HSD17B2
SCHEMBL15676756 0.83 KMT2A (0.65) KMT2AMEN1HSD17B1HSD17B2HPGD
SCHEMBL15676750 0.83 KMT2A (0.64) KMT2AMEN1HSD17B1HSD17B2HPGD

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
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-17 US disclosed
US-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 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 (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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KMT2A 2123/4885MEN1 1384/4885MMP13 94/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KMT2A 2123/4885MEN1 1384/4885MMP13 94/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KMT2A 2123/4885MEN1 1384/4885MMP13 94/4885

“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.