Sugi Predict

Sugi Predict / Compounds / SCHEMBL10177409

SCHEMBL10177409

SCHEMBL10177409

C/C=C(\C#N)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ EGFR P00533 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ F2 P00734 1/20 0.44

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
SCHEMBL13966676 0.85 CES2 (0.47) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL29483453 0.84 CES2 (0.46) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL28519063 0.84 CES2 (0.46) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL29041273 0.84 CES2 (0.46) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL10147117 0.83 CES2 (0.42) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL29788415 0.82 ESR1 (0.56) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL13954512 0.81 CES2 (0.47) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL3645033 0.80 CES2 (0.50) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL3645034 0.80 CES2 (0.50) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL3645029 0.80 CES2 (0.50) CES2CES1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808743-A1 HIV REPLICATION INHIBITING PYRIMIDINES Janssen Pharmaceutica NV (BE) 2021-04-21 — — EP disclosed
US-10611732-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2020-04-07 — — US disclosed
EP-2298761-B1 HIV INHIBITING PYRIMIDINES DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2020-03-25 — — EP disclosed
US-20190322628-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2019-10-24 — — US disclosed
US-9981919-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICAL N.V. (BE) 2018-05-29 — — US disclosed
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 — — US disclosed
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-05-04 — — US disclosed
US-9580392-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2017-02-28 — — US disclosed
US-9192577-B2 Pharmaceutical compositions comprising a basic drug compound, a surfactant, and a physiologically tolerable water soluble acid JANSSEN PHARMACEUTICA NV (BE) 2015-11-24 — — US disclosed
US-20140343006-A1 HIV Replication Inhibiting Pyrimidines JANSSEN PHARMACEUTICA NV (NL) 2014-11-20 — — US disclosed
US-8828982-B2 Pyrimidine derivatives for the prevention of HIV infection JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-09 — — US disclosed
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES GUILLEMONT JEROME EMILE GEORGES (FR) 2012-03-29 — — US disclosed
US-8080551-B2 HIV inhibiting pyrimidines derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-20 — — US disclosed
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION JANSSEN-CILAG (FR) 2010-02-11 — — US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 — — 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 (8 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-20140343006-A1 HIV Replication Inhibiting Pyrimidines RRM2B, CCNO, RRM2 CES2 1430/4885CES1 1315/4885SMN1; SMN2 4101/4885
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 CES2 1430/4885CES1 1315/4885SMN1; SMN2 4101/4885
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD CES2 2861/4885CES1 2973/4885SMN1; SMN2 3722/4885
US-20190322628-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 CES2 1430/4885CES1 1315/4885SMN1; SMN2 4101/4885
US-10611732-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 CES2 1430/4885CES1 1315/4885SMN1; SMN2 4101/4885
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES TYMS, PNP, DUT CES2 3160/4885CES1 2483/4885SMN1; SMN2 3562/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 CES2 693/4885CES1 1208/4885SMN1; SMN2 4522/4885
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 CES2 1430/4885CES1 1315/4885SMN1; SMN2 4101/4885

“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.