Sugi Predict

Sugi Predict / Compounds / SCHEMBL4406429

SCHEMBL4406429

SCHEMBL4406429

Cc1cnc2[nH]c(=O)[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 3/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ TYRO3 Q06418 2/20 0.41
▸ DYRK1B Q9Y463 2/20 0.41
▸ PRKD3 O94806 2/20 0.41
▸ MAP4K4 O95819 2/20 0.41
▸ RET P07949 2/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ GSK3A P49840 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ RPS6KA3 P51812 2/20 0.41
▸ MAP4K2 Q12851 2/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ AURKA O14965 1/20 0.41

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
SCHEMBL5309140 0.80 KDM4E (0.53) CDK5CDK1CCNB2CCNB1CDK5R1
SCHEMBL30328922 0.76 RET (0.52) CDK5CDK1TYRO3DYRK1BPRKD3
SCHEMBL15915542 0.76 RET (0.52) CDK5CDK1TYRO3DYRK1BPRKD3
SCHEMBL1219980 0.74 TYRO3 (0.50) CDK5CDK1TYRO3DYRK1BPRKD3
SCHEMBL23002873 0.74 RPS6KA3 (0.41) CDK5CDK1TYRO3DYRK1BPRKD3
SCHEMBL19286119 0.74 RPS6KA3 (0.38) CDK5CDK1TYRO3DYRK1BPRKD3
SCHEMBL18238553 0.74 RPS6KA3 (0.38) CDK5CDK1TYRO3DYRK1BPRKD3
SCHEMBL18850852 0.71 TYRO3 (0.36) CDK5CDK1TYRO3DYRK1BPRKD3
SCHEMBL23097085 0.71 ROCK1 (0.36) CDK5CDK1TYRO3DYRK1BPRKD3
SCHEMBL4494578 0.71 TYRO3 (0.36) CDK5CDK1TYRO3DYRK1BPRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 — — EP disclosed
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 — — EP disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 — — US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 — — US disclosed
WO-2017076842-A1 INDOLIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-05-11 — — WO disclosed
EP-3070085-A1 FLAP MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-09-21 — — EP disclosed
US-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 — — US disclosed
US-20150259357-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-17 — — US disclosed
US-9079866-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 — — US disclosed
WO-2014121055-A2 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 — — WO disclosed
US-20140221311-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 — — US disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 — — US disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 — — US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 — — US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 — — US disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 — — US disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 — — 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 (6 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP CDK5 717/4885CDK1 1658/4885CCNB2 3818/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CDK5 2624/4885CDK1 1224/4885CCNB2 537/4885
US-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R CDK5 1818/4885CDK1 433/4885CCNB2 1409/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H CDK5 392/4885CDK1 1549/4885CCNB2 3037/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R CDK5 1560/4885CDK1 606/4885CCNB2 1470/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R CDK5 1560/4885CDK1 606/4885CCNB2 1470/4885

“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.