SCHEMBL12033744

SCHEMBL12033744

Cc1cc2nc(C(F)(F)F)nc(O)c2cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 8/20 0.40
CCNE1 P24864 8/20 0.40
CDK2 P24941 8/20 0.40
CDK4 P11802 6/20 0.40
CCND1 P24385 6/20 0.40
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.36
RAB9A P51151 2/20 0.36
RAD52 P43351 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
QRFPR Q96P65 1/20 0.36
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
GAA P10253 2/20 0.34
TLR7 Q9NYK1 2/20 0.33
ADORA2A P29274 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL25656139 0.79 CCNE2 (0.37) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL7820044 0.78 PDE3B (0.49) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL15483491 0.76 HPGD (0.44) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL27474568 0.75 MAPT (0.45) KDM4EMAPTLMNARAB9ARAD52
SCHEMBL9998169 0.74 CDK2 (0.57) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL30540330 0.74 CDK2 (0.57) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4426259 0.72 CCNE2 (0.47) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL8070450 0.72 POLB (0.41) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL31283944 0.72 HPGD (0.51) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL8070893 0.72 CDK2 (0.45) CCNE2CCNE1CDK2CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 US disclosed
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
US-20140163231-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-06-12 US disclosed
US-20130267713-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-10-10 US disclosed
US-8507722-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
US-8299094-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-30 US disclosed
US-20110311482-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-22 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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CCNE2 827/4885CCNE1 550/4885CDK2 191/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CCNE2 827/4885CCNE1 550/4885CDK2 191/4885
US-20130267713-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CCNE2 827/4885CCNE1 550/4885CDK2 191/4885
US-20110311482-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CCNE2 827/4885CCNE1 550/4885CDK2 191/4885
US-20140163231-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CCNE2 827/4885CCNE1 550/4885CDK2 191/4885

“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.