SCHEMBL9975264

SCHEMBL9975264

C/C=N/NC(=O)c1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.57
▸ MPO P05164 1/20 0.57
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ HTT P42858 1/20 0.56
▸ USP2 O75604 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL2988282 1.00 L3MBTL1 (0.62) L3MBTL1MEN1KMT2AALDH1A1MPO
SCHEMBL2988285 1.00 L3MBTL1 (0.62) L3MBTL1MEN1KMT2AALDH1A1MPO
SCHEMBL2988309 0.85 USP2 (0.67) L3MBTL1MEN1KMT2AALDH1A1NPC1
SCHEMBL2988300 0.85 USP2 (0.67) L3MBTL1MEN1KMT2AALDH1A1NPC1
SCHEMBL2992611 0.85 USP2 (0.67) L3MBTL1MEN1KMT2AALDH1A1NPC1
SCHEMBL2988318 0.85 USP2 (0.67) L3MBTL1MEN1KMT2AALDH1A1NPC1
SCHEMBL2992609 0.85 USP2 (0.67) L3MBTL1MEN1KMT2AALDH1A1NPC1
Crotoniazide SCHEMBL2997623 0.83 USP2 (0.65) L3MBTL1MEN1KMT2AALDH1A1MPO
Crotoniazide SCHEMBL2997626 0.83 USP2 (0.65) L3MBTL1MEN1KMT2AALDH1A1MPO
Crotoniazide SCHEMBL2109838 0.83 USP2 (0.65) L3MBTL1MEN1KMT2AALDH1A1MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 — — 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
EP-2298761-A1 HIV inhibiting pyrimidines derivatives Janssen Pharmaceutica NV (BE) 2011-03-23 — — EP disclosed
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION JANSSEN-CILAG (FR) 2010-02-11 — — US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 — — 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 (7 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 L3MBTL1 539/4885MEN1 4051/4885KMT2A 2086/4885
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 L3MBTL1 539/4885MEN1 4051/4885KMT2A 2086/4885
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD L3MBTL1 3825/4885MEN1 4220/4885KMT2A 2620/4885
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 L3MBTL1 4646/4885MEN1 3302/4885KMT2A 1949/4885
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES TYMS, PNP, DUT L3MBTL1 3637/4885MEN1 4484/4885KMT2A 2281/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 L3MBTL1 1435/4885MEN1 4159/4885KMT2A 3053/4885
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 L3MBTL1 539/4885MEN1 4051/4885KMT2A 2086/4885

“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.

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