SCHEMBL12395338

SCHEMBL12395338

CC(C)(C)c1nccc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
DRD1 P21728 6/20 0.39
JAK2 O60674 2/20 0.37
PRKACA P17612 2/20 0.37
JAK3 P52333 2/20 0.37
PRKCQ Q04759 2/20 0.37
ROCK1 Q13464 2/20 0.37
ROCK2 O75116 1/20 0.37
PRKCA P17252 1/20 0.37
FLT3 P36888 1/20 0.37
GSK3B P49841 1/20 0.37
PRKCD Q05655 1/20 0.37
GRM4 Q14833 1/20 0.36
PRKCI P41743 3/20 0.36
AXL P30530 1/20 0.36
IGF1R P08069 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
DAPK3 O43293 1/20 0.36

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
SCHEMBL31409717 0.81 TRPA1 (0.45) TRPA1DRD1JAK2PRKACAJAK3
SCHEMBL4550230 0.74 PDE3B (0.58) TRPA1DRD1PRKCIAXLPIK3CD
SCHEMBL14090714 0.73 PDE3B (0.62)
SCHEMBL29893852 0.73 KDM4E (0.45) TRPA1DRD1FLT3DHPS
SCHEMBL17340995 0.72 IDO1 (0.41) DRD1JAK2PRKCQROCK1ROCK2
SCHEMBL22793034 0.70 PRKCI (0.35) PRKCIAXLCCR4AHRDHPS
SCHEMBL22792800 0.70 AXL (0.32) PRKCIAXLCCR4DHPS
SCHEMBL1019530 0.69 PDE3B (0.53) TRPA1DRD1JAK2PRKACAJAK3
SCHEMBL1154939 0.69 TRPA1 (0.45) TRPA1DRD1JAK2PRKACAJAK3
SCHEMBL961508 0.69 PRKCI (0.48) TRPA1DRD1JAK2PRKACAJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 US disclosed
US-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 US disclosed
US-9499523-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2016-11-22 US disclosed
US-20150361070-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 US disclosed
US-20150361068-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 US disclosed
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-8815877-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-08-26 US disclosed
US-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-07-11 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 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 (10 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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 TRPA1 1089/4885DRD1 1226/4885JAK2 2/4885
US-20230167099-A1 NEW PYRAZINE COMPOUND EGFR, ERBB2, WEE1 TRPA1 1298/4885DRD1 3258/4885JAK2 34/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TRPA1 1604/4885DRD1 1206/4885JAK2 4275/4885
US-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, PAK3 TRPA1 4706/4885DRD1 4010/4885JAK2 391/4885
US-20150361070-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT2 TRPA1 4532/4885DRD1 4804/4885JAK2 388/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TRPA1 1604/4885DRD1 1206/4885JAK2 4275/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 TRPA1 2955/4885DRD1 2364/4885JAK2 712/4885
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 TRPA1 4806/4885DRD1 4461/4885JAK2 1679/4885
US-20150361068-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3C2B, PIK3CB TRPA1 4478/4885DRD1 4791/4885JAK2 368/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP TRPA1 1604/4885DRD1 1206/4885JAK2 4275/4885

“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.