Sugi Predict

Sugi Predict / Compounds / SCHEMBL678202

SCHEMBL678202

SCHEMBL678202

Nc1cnc(NC(=O)c2ccccc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPK1 P28482 2/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ BCAT2 O15382 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ HCAR3 P49019 1/20 0.50
▸ KCNQ3 O43525 1/20 0.49
▸ KCNQ2 O43526 1/20 0.49
▸ P4HTM Q9NXG6 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL5648961 0.83 CYP1A2 (0.54) CYP1A2CYP3A4HDAC1KCNQ3KCNQ2
SCHEMBL13543517 0.82 NPC1 (0.56) LMNASMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL22190912 0.82 CYP1A2 (0.51) CYP1A2CYP2C19CYP3A4GAAMAPK1
SCHEMBL27468291 0.82 MEN1 (0.51) CYP1A2CYP2C19CYP3A4GAAHDAC3
SCHEMBL4977587 0.81 CYP1A2 (0.51) LMNASMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL5649097 0.81 KCNQ3 (0.61) LMNASMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL997872 0.81 RAB9A (0.59) ADORA1MEN1KMT2AKDRJAK2
SCHEMBL10999313 0.80 CYP1A2 (0.53) LMNASMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL10143665 0.80 CYP1A2 (0.53) LMNASMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL29238957 0.79 RAB9A (0.57) ADORA1MEN1KMT2AKDRJAK2

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 — — US claimed
JP-2011526912-A — — 2011-10-20 — — JP claimed
EP-2291376-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS Merck Patent GmbH (DE) 2011-03-09 — — EP claimed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 — — WO claimed
EP-3222620-B1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2019-11-20 — — EP disclosed
EP-3222620-B1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2019-11-20 — — EP disclosed
US-10246443-B2 Cyanoquinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2019-04-02 — — US disclosed
US-10246443-B2 Cyanoquinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2019-04-02 — — US disclosed
EP-3222620-A1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-09-27 — — EP disclosed
EP-3222620-A1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-09-27 — — EP disclosed
US-20170226093-A1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-08-10 — — US disclosed
US-20170226093-A1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-08-10 — — US disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 — — US disclosed
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2009-05-21 — — US disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 — — US disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 — — WO disclosed
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 — — US disclosed
CN-1391563-A Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2003-01-15 — — CN disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 — — EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 — — 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 (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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB LMNA 1303/4885SMN1; SMN2 4355/4885CYP1A2 3665/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 LMNA 796/4885SMN1; SMN2 4189/4885CYP1A2 2148/4885
US-10246443-B2 Cyanoquinoline derivatives CBR3, CYP3A4, CDK1 LMNA 605/4885SMN1; SMN2 2478/4885CYP1A2 30/4885
US-20090131461-A1 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CDK1, AURKC, CSNK1G3 LMNA 635/4885SMN1; SMN2 4769/4885CYP1A2 734/4885
US-20170226093-A1 CYANOQUINOLINE DERIVATIVES CBR3, CYP3A4, CDK1 LMNA 605/4885SMN1; SMN2 2478/4885CYP1A2 30/4885

“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.