SCHEMBL12371005

SCHEMBL12371005

C=Cc1cc(C(C)C)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.37
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ JAK2 O60674 3/20 0.32
▸ KDR P35968 2/20 0.32
▸ AURKA O14965 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ LCK P06239 1/20 0.32

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
SCHEMBL18861649 0.84 CYP3A4 (0.36) HDAC8CYP3A4CYP2D6PSEN1PSEN2
SCHEMBL20621292 0.80 CHRNA7 (0.33) CHRNA7LMNAJAK2KDRAURKA
SCHEMBL2904251 0.80 TYR (0.43) HDAC8CYP3A4CHRNA7LMNAJAK2
SCHEMBL6638838 0.77 TYR (0.34) HDAC8CYP3A4CHRNA7LMNAJAK2
SCHEMBL3256436 0.77 ROCK1 (0.37) HDAC8CYP3A4CYP2D6PSEN1PSEN2
SCHEMBL19769033 0.76 L3MBTL1 (0.50) CHRNA7JAK2TYRTRPA1PTGS1
SCHEMBL24450487 0.74 CHRNA7 (0.33) CHRNA7
SCHEMBL1282140 0.72 — —
SCHEMBL4878671 0.72 LMNA (0.35) HDAC8CYP3A4CHRNA7LMNAJAK2
SCHEMBL9756953 0.72 KDM4E (0.51) HDAC8CYP3A4LMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 — — US disclosed
US-10723753-B2 Ras inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-28 — — US disclosed
US-10544106-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-01-28 — — US disclosed
US-20190292178-A9 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-26 — — US disclosed
US-10023588-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-17 — — US disclosed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 — — US disclosed
US-9879003-B2 Host targeted inhibitors of dengue virus and other viruses DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-30 — — US disclosed
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 — — US disclosed
US-20160046661-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-18 — — US disclosed
US-20150166532-A1 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-18 — — US disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 — — 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-10544106-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 HDAC8 929/4885CYP3A4 1264/4885CYP2D6 1933/4885
US-20150166532-A1 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES RPL17, RPL26, RPL35 HDAC8 1597/4885CYP3A4 4071/4885CYP2D6 2492/4885
US-20160046661-A1 RAS INHIBITORS AND USES THEREOF KRAS, NRAS, RASGRP1 HDAC8 2646/4885CYP3A4 3550/4885CYP2D6 2924/4885
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC8 1458/4885CYP3A4 275/4885CYP2D6 956/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK HDAC8 1603/4885CYP3A4 2948/4885CYP2D6 2808/4885
US-20190292178-A9 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES RPL26, RPL35, RPL5 HDAC8 2344/4885CYP3A4 3158/4885CYP2D6 2098/4885
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 HDAC8 929/4885CYP3A4 1264/4885CYP2D6 1933/4885
US-10023588-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS HDAC8 606/4885CYP3A4 4840/4885CYP2D6 4817/4885
US-10723753-B2 Ras inhibitors and uses thereof KRAS, NRAS, RASGRP1 HDAC8 2646/4885CYP3A4 3550/4885CYP2D6 2924/4885
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 HDAC8 681/4885CYP3A4 4681/4885CYP2D6 4208/4885

“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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