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
SCHEMBL27468291 0.82 MEN1 (0.51) CYP1A2CYP2C19CYP3A4GAAHDAC3
SCHEMBL22190912 0.82 CYP1A2 (0.51) CYP1A2CYP2C19CYP3A4GAAMAPK1
SCHEMBL13543517 0.82 NPC1 (0.56) LMNASMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL4977587 0.81 CYP1A2 (0.51) LMNASMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL5649097 0.81 KCNQ3 (0.61) LMNASMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL997872 0.81 RAB9A (0.59) ADORA1MEN1KMT2AKDRJAK2
SCHEMBL10143665 0.80 CYP1A2 (0.53) LMNASMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL10999313 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.

Send feedback