Sugi Predict

Sugi Predict / Compounds / SCHEMBL2675925

SCHEMBL2675925

SCHEMBL2675925

NC(=O)C[CH]c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ GRIN2D O15399 2/20 0.41
▸ GRIN3B O60391 2/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2A Q12879 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ GRIN2C Q14957 2/20 0.41
▸ GRIN3A Q8TCU5 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GRIK1 P39086 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL2676618 0.79 HSD11B1 (0.45) CYP1A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15157265 0.79 CYP2A6 (0.48) NPC1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3161596 0.79 SMN1; SMN2 (0.46) NPC1MAPTLMNAGRIK1GRIK2
SCHEMBL4985322 0.79 HSD17B10 (0.43) HSD17B10CYP1A2NPC1GRIN2DGRIN3B
SCHEMBL15156593 0.79 ALDH1A1 (0.53) HSD17B10ALDH1A1MAPTL3MBTL1GRIK1
SCHEMBL176807 0.78 PAM (0.47) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL15157522 0.78 TRPA1 (0.41) ALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL17574538 0.77 NAPRT (0.43) NPC1ALDH1A1MAPTL3MBTL1
SCHEMBL2675960 0.77 CYP1A2 (0.51) HSD17B10CYP1A2NPC1GRIN2DGRIN3B
SCHEMBL3087230 0.75 JUN (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10080750-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 — — US claimed
EP-2755958-B9 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2018-02-28 — — EP claimed
EP-2755958-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-08-09 — — EP claimed
US-20170217905-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-08-03 — — US claimed
US-9662330-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2017-05-30 — — US claimed
EP-2809669-B1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-02-01 — — EP claimed
US-20160184308-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-06-30 — — US claimed
US-20160159793-A1 Fused Pyrroledicarboxamides and Their Use as Pharmaceuticals SANOFI (FR) 2016-06-09 — — US claimed
US-9321760-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-04-26 — — US claimed
US-9284333-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2016-03-15 — — US claimed
EP-2755958-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2014-07-23 — — EP claimed
WO-2013113860-A1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-08-08 — — WO claimed
US-8420667-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-16 — — US claimed
WO-2013040044-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-21 — — WO claimed
EP-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 — — EP claimed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 — — US claimed
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 — — US claimed
EP-2150534-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2010-02-10 — — EP claimed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 — — US claimed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 — — WO claimed

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-10080750-B2 Aminopyrimidine derivatives for use as modulators of kinase activity CDK6, TK1, MAP3K19 HSD17B10 3971/4885CYP1A2 2852/4885NPC1 4280/4885
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 HSD17B10 2800/4885CYP1A2 1128/4885NPC1 1176/4885
US-20170217905-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY CDK6, TK1, MAP3K19 HSD17B10 3971/4885CYP1A2 2852/4885NPC1 4280/4885
US-20160184308-A1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY CDK6, TK1, MAP3K19 HSD17B10 3971/4885CYP1A2 2852/4885NPC1 4280/4885
US-20160159793-A1 Fused Pyrroledicarboxamides and Their Use as Pharmaceuticals KCNA1, KCNE1, KCNH1 HSD17B10 1662/4885CYP1A2 245/4885NPC1 1135/4885

“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.