SCHEMBL12981

SCHEMBL12981

Cc1cccc(CN2CCCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.69
PRMT6 Q96LA8 1/20 0.62
ALDH1A1 P00352 7/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 4/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.59
GAA P10253 1/20 0.56

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
SCHEMBL31546411 1.00 HRH3 (0.69) HRH3PRMT6ALDH1A1SMN1; SMN2TDP1
SCHEMBL29447423 0.98 HRH3 (0.67) HRH3PRMT6ALDH1A1SMN1; SMN2TDP1
SCHEMBL12854 0.98 HRH3 (0.67) HRH3PRMT6ALDH1A1SMN1; SMN2TDP1
SCHEMBL24495602 0.90 HRH3 (0.57) HRH3PRMT6ALDH1A1SMN1; SMN2TDP1
SCHEMBL26010164 0.88 HRH3 (0.69) HRH3PRMT6ALDH1A1KDM4EMAPT
SCHEMBL28849168 0.85 CXCR4 (0.64) HRH3ALDH1A1TDP1KDM4EMAPT
SCHEMBL20663301 0.85 NCF1 (0.59) HRH3ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL19206094 0.85 ALDH1A1 (0.61) HRH3PRMT6ALDH1A1SMN1; SMN2TDP1
SCHEMBL29863040 0.85 CXCR4 (0.64) HRH3ALDH1A1TDP1KDM4EMAPT
SCHEMBL2262681 0.85 ALDH1A1 (0.57) HRH3ALDH1A1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023111990-A1 SELECTIVE PHD1 INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
EP-3800187-A1 ORGANIC IMAGE SENSOR COMPRISING SPECIFIC NAPHTHALENEDIIMIDE COMPOUND Sony Corporation (JP) 2021-04-07 EP disclosed
US-20210005827-A1 N AND P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES SONY CORPORATION (JP) 2021-01-07 US disclosed
EP-3461828-B1 METHODS OF PREPARING TOLL-LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 EP disclosed
US-10790454-B2 N and P active materials for organic photoelectric conversion layers in organic photodiodes SONY CORPORATION (JP) 2020-09-29 US disclosed
US-10464935-B2 Specific N and P active materials for organic photoelectric conversion layers in organic photodiodes SONY CORPORATION (JP) 2019-11-05 US disclosed
EP-3461828-A2 METHODS OF PREPARING TOLL-LIKE RECEPTOR MODULATORS GILEAD SCIENCES, INC. (US) 2019-04-03 EP disclosed
US-10233157-B2 SIK inhibitor for use in a method of treating an inflammatory and/or immune disorder DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-19 US disclosed
US-20180215719-A9 SIK INHIBITOR FOR USE IN A METHOD OF TREATING AN INFLAMMATORY AND/OR IMMUNE DISORDER DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-08-02 US disclosed
US-20180215719-A9 SIK INHIBITOR FOR USE IN A METHOD OF TREATING AN INFLAMMATORY AND/OR IMMUNE DISORDER DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-08-02 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
WO-2006003440-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-12 WO disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 WO disclosed
WO-2003047577-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES EISAI CO LTD (JP) 2003-06-12 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 (8 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-20180215719-A9 SIK INHIBITOR FOR USE IN A METHOD OF TREATING AN INFLAMMATORY AND/OR IMMUNE DISORDER SIK1, SIK2, SGK1 HRH3 1246/4885PRMT6 1761/4885ALDH1A1 4501/4885
US-10790454-B2 N and P active materials for organic photoelectric conversion layers in organic photodiodes L1CAM, PNN, JUP HRH3 4742/4885PRMT6 2578/4885ALDH1A1 2724/4885
US-10233157-B2 SIK inhibitor for use in a method of treating an inflammatory and/or immune disorder SIK1, SIK2, SGK1 HRH3 1246/4885PRMT6 1761/4885ALDH1A1 4501/4885
US-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 HRH3 92/4885PRMT6 1576/4885ALDH1A1 1154/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 HRH3 4646/4885PRMT6 1491/4885ALDH1A1 1157/4885
US-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 HRH3 4348/4885PRMT6 1600/4885ALDH1A1 1875/4885
US-10464935-B2 Specific N and P active materials for organic photoelectric conversion layers in organic photodiodes L1CAM, JUP, DSP HRH3 4288/4885PRMT6 2967/4885ALDH1A1 3045/4885
US-20210005827-A1 N AND P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES L1CAM, PNN, JUP HRH3 4742/4885PRMT6 2578/4885ALDH1A1 2724/4885

“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.