SCHEMBL84584

SCHEMBL84584

Cc1c[nH]c2ncc(C(C)C)cc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
MAP3K12 Q12852 10/20 0.40
BTK Q06187 7/20 0.38
ITK Q08881 7/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
AXL P30530 1/20 0.35
PRKCI P41743 1/20 0.35

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
SCHEMBL19645647 0.83 MET (0.39) METMAP3K12BTKITKPRMT5
SCHEMBL13976070 0.82 PRMT5 (0.43) MAP3K12ITKPRMT5WDR77AXL
SCHEMBL84406 0.81 AXL (0.43) ITKPRMT5WDR77AXL
SCHEMBL84420 0.81 MAP3K12 (0.41) MAP3K12BTKITKPRMT5WDR77
SCHEMBL19105605 0.81 MAP3K12 (0.41) MAP3K12BTKPRMT5WDR77AXL
SCHEMBL18352451 0.78 MAP3K12 (0.35) MAP3K12AXL
SCHEMBL7921128 0.77 MET (0.46) METMAP3K12BTKITKPRMT5
SCHEMBL24012829 0.77 PRMT5 (0.41) PRMT5WDR77
SCHEMBL13523638 0.77 MAP3K12 (0.47) MAP3K12PRMT5WDR77
SCHEMBL19754768 0.77 LRRK2 (0.47) MAP3K12PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393641-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF OXFORD FINANCE LLC 2021-12-23 US disclosed
US-10966987-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-04-06 US disclosed
US-10758539-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
US-20200054644-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2020-02-20 US disclosed
US-10398703-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
US-20190216812-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2019-07-18 US disclosed
US-10285991-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-05-14 US disclosed
US-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2018-05-17 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (14 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-10285991-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 MET 1975/4885MAP3K12 4043/4885BTK 3240/4885
US-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MET 3530/4885MAP3K12 3112/4885BTK 1148/4885
US-10758539-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 MET 1975/4885MAP3K12 4043/4885BTK 3240/4885
US-10966987-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 MET 1954/4885MAP3K12 3983/4885BTK 2794/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 MET 2336/4885MAP3K12 1699/4885BTK 4215/4885
US-20210393641-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 MET 1954/4885MAP3K12 3983/4885BTK 2794/4885
US-20200054644-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 MET 1954/4885MAP3K12 3983/4885BTK 2794/4885
US-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 MET 1954/4885MAP3K12 3983/4885BTK 2794/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MET 3530/4885MAP3K12 3112/4885BTK 1148/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MET 3530/4885MAP3K12 3112/4885BTK 1148/4885
US-20190216812-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 MET 1975/4885MAP3K12 4043/4885BTK 3240/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 MET 2336/4885MAP3K12 1699/4885BTK 4215/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS MET 384/4885MAP3K12 91/4885BTK 169/4885
US-10398703-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 MET 1954/4885MAP3K12 3983/4885BTK 2794/4885

“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.