SCHEMBL1963482

SCHEMBL1963482

CC(C)c1c(P)c(C(C)C)c(C2CCCCC2)c(C(C)C)c1-c1ccccc1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.39
▸ PTPN1 P18031 2/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ PTPRF P10586 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ ADRA2A P08913 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ PTPN5 P54829 2/20 0.31
▸ PTPN2 P17706 1/20 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
SCHEMBL1505612 0.85 PTGS2 (0.40) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL1505749 0.84 PTGS2 (0.39) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL29644614 0.81 PTPN1 (0.38) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL30357793 0.75 PTPN1 (0.34) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL28420979 0.71 POLB (0.36) PTPN1PTPRCPTPRFCDC25B
SCHEMBL30576990 0.71 POLB (0.36) PTPN1PTPRCPTPRFCDC25B
SCHEMBL29073846 0.70 PTGS2 (0.41) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL5379529 0.69 PTPN1 (0.35) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL10713148 0.69 HTR1A (0.38) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL4476575 0.69 PTGS2 (0.56) PTGS2PTPN1PTPRCPTPRFCDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108697713-A Methods for making tricyclic PI3K inhibitor compounds and methods of treating cancer therewith 基因泰克公司 2018-10-23 — — CN claimed
CN-106661039-B 2 (TYK2) inhibitor of tyrosine protein matter kinases and its purposes 林伯士拉克许米公司 2019-09-13 — — CN disclosed
CN-108779089-A Griseofulvin compound 第三共株式会社 2018-11-09 — — CN disclosed
CN-105492438-B Sulfomimine substituted 5-fluoro-N- (pyridin-2-yl) pyridin-2-amine derivatives and their use as CDK9 kinase inhibitors 拜耳医药股份有限公司 2018-08-07 — — CN disclosed
CN-105283453-B N- (pyridin-2-yl) pyrimidin-4-amine derivatives containing sulfone group 拜耳药业股份公司 2018-06-22 — — CN disclosed
CN-105073710-B Novel hydroxamic acid derivative or salt thereof 富山化学工业株式会社 2018-02-16 — — CN disclosed
CN-107001272-A One-step method for synthesizing alkylated Metopirone analog 阿尔比马尔公司 2017-08-01 — — CN disclosed
CN-106661039-A TYK2 inhibitors and uses thereof 林伯士拉克许米公司 2017-05-10 — — CN disclosed
CN-103649079-B Hepatitis c inhibitor and application thereof ABBVIE 公司 2016-11-16 — — CN disclosed
CN-105492438-A Sulfomimine substituted 5-fluoro-N- (pyridin-2-yl) pyridin-2-amine derivatives and their use as CDK9 kinase inhibitors Bayer Pharma AG 2016-04-13 — — CN disclosed
CN-104540826-A Spiro-fused piperidine derivatives useful as inhibitors of extrarenal potassium channels MERCK SHARP & DOHME 2015-04-22 — — CN disclosed
US-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 — — US disclosed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 — — US disclosed
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2011-07-28 — — US disclosed
EP-2336123-A2 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR Neopharm Co., Ltd. (KR) 2011-06-22 — — EP 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 (2 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-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK PTGS2 1708/4885PTPN1 1095/4885PTPRC 527/4885
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK PTGS2 1708/4885PTPN1 1095/4885PTPRC 527/4885

“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.

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