SCHEMBL378865

SCHEMBL378865

Cc1ccc(-n2[c]cc(C(C)(C)C)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.37
TSHR P16473 2/20 0.35
MAPK14 Q16539 2/20 0.35
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 6/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F2 P00734 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
CMA1 P23946 1/20 0.32
CTRC Q99895 1/20 0.32
NOTUM Q6P988 1/20 0.32
PRKCZ Q05513 1/20 0.31
MAPT P10636 4/20 0.31

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
SCHEMBL15568840 0.86 PTGS2 (0.39) TSHRMAPK14KDM4EL3MBTL1ALOX15
SCHEMBL15011653 0.75 PRKCZ (0.48) TSHRMAPK14ALOX15ALDH1A1PRKCZ
SCHEMBL15011778 0.75 PRKCZ (0.40) TSHRMAPK14ALDH1A1TDP1PRKCZ
SCHEMBL28740034 0.70 ALDH1A1 (0.42) TSHRKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL16739280 0.69 SMN1; SMN2 (0.41) MAPK14KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL316526 0.67 KDM4E (0.34) KDM4E
SCHEMBL536133 0.67 PTGS1 (0.44) TSHRKDM4EALDH1A1MAPTNPC1
SCHEMBL2958750 0.66
SCHEMBL1695877 0.65 NOTUM (0.46) CDK8TSHRMAPK14KDM4EALDH1A1
SCHEMBL9910542 0.64 CDK8 (0.55) CDK8MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111777592-B N4- (2, 5-dimethoxyphenyl) -pyrimidinediamine targeted DDR1 inhibitor and preparation and application thereof 温州医科大学 2021-06-18 CN claimed
US-7928227-B2 Diaryl ureas, which release urea compound when administered to patient, for example, 1-(4-chloro-3(trifluoromethyl)phenyl)-3-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)-2-oxo-(1,3,5-perhydrotriazapine); treatment of cancer, inflammation BAYER HEALTHCARE LLC (US) 2011-04-19 US claimed
EP-1599466-B1 2-OXO-1,3,5-PERHYDROTRIAZAPINE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE, ANGIOGENESIS, AND INFLAMMATRORY DISORDERS BAYER HEALTHCARE LLC (US) 2010-11-24 EP claimed
EP-1200411-B1 PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMA (US) 2005-12-14 EP claimed
US-20050032798-A1 2-Oxo-1,3,5-perhydrotriazapine derivatives useful in the treatment of hyper-proliferative, angiogenesis, and inflammatory disorders BAYER HEALTHCARE LLC 2005-02-10 US claimed
EP-4313293-A1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-02-07 EP disclosed
CN-117157300-A Tetrahydrothienopyridine derivatives as DDR inhibitors 奇斯药制品公司 2023-12-01 CN disclosed
US-8202899-B2 Pyrazole urea derivatives used as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-06-19 US disclosed
EP-1981851-B1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2012-01-25 EP disclosed
US-8044083-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-25 US disclosed
US-8039639-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-18 US disclosed
US-20110124878-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-05-26 US disclosed
US-6835832-B2 Catalytic hydrogenation BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-12-28 US disclosed
US-6774233-B2 AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-10 US disclosed
US-6753426-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-22 US disclosed
US-20030181718-A1 A chemical intermediate carbamate compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-09-25 US disclosed
US-20030166930-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-09-04 US disclosed
US-20030166931-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-09-04 US disclosed
US-6583282-B1 Formation of a urea by reacting an aromatic carbamate with a aromatic amine BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-06-24 US disclosed
US-20030109703-A1 Polymorph and process for preparing same BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-06-12 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-20030181718-A1 A chemical intermediate carbamate compounds UGT1A1, ARG1, CPS1 CDK8 950/4885TSHR 2875/4885MAPK14 4040/4885
US-20030166931-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents URB2, UGT1A1, PURB CDK8 1239/4885TSHR 3599/4885MAPK14 3398/4885
US-20030109703-A1 Polymorph and process for preparing same UGT1A1, CYP1A1, CYP1B1 CDK8 1705/4885TSHR 3513/4885MAPK14 4252/4885
US-20030166930-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents URB2, UGT1A1, PURB CDK8 1239/4885TSHR 3599/4885MAPK14 3398/4885
US-20050032798-A1 2-Oxo-1,3,5-perhydrotriazapine derivatives useful in the treatment of hyper-proliferative, angiogenesis, and inflammatory disorders HYOU1, HIF1A, HCAR2 CDK8 671/4885TSHR 4505/4885MAPK14 2817/4885
US-20110124878-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF MAP3K19, MAP3K2, MAP3K20 CDK8 189/4885TSHR 2615/4885MAPK14 38/4885

“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.