SCHEMBL1907324

SCHEMBL1907324

O=Cc1cccc(C(=O)c2c[nH]c3ncccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 2/20 0.67
▸ MAP2K1 Q02750 1/20 0.51
▸ KMT2A Q03164 1/20 0.49
▸ KIF20A O95235 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ UNG P13051 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ CAMKK2 Q96RR4 2/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ GPR84 Q9NQS5 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ AXL P30530 1/20 0.41

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
SCHEMBL12676007 0.87 NEK2 (0.66) NEK2MAP2K1KMT2AKIF20ACLK1
SCHEMBL12675734 0.85 NEK2 (0.76) NEK2MAP2K1KMT2AKIF20ACLK1
SCHEMBL14682666 0.84 NEK2 (0.68) NEK2MAP2K1KMT2AKIF20ACLK1
SCHEMBL857000 0.83 NEK2 (0.58) NEK2MAP2K1KMT2ACNR2KDR
SCHEMBL16450324 0.83 NEK2 (0.73) NEK2MAP2K1KMT2AKIF20ACLK1
SCHEMBL12675990 0.82 NEK2 (0.69) NEK2MAP2K1KMT2AKIF20ACLK1
SCHEMBL878800 0.82 NEK2 (0.57) NEK2MAP2K1DYRK1ACLK4DYRK1B
SCHEMBL858554 0.82 NEK2 (0.57) NEK2MAP2K1KMT2ACNR2KDR
SCHEMBL3709076 0.82 NEK2 (0.63) NEK2MAP2K1KMT2ACLK2CDK5
SCHEMBL856986 0.82 NEK2 (0.60) NEK2MAP2K1KMT2ADYRK1ACNR2

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-9505766-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 — — US disclosed
US-9505766-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 — — US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 — — US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 — — US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 — — US disclosed
EP-2558099-A2 KINASE INHIBITORS The Regents Of The University Of California, San Francisco (US) 2013-02-20 — — EP disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 — — US disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 — — US disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 — — US disclosed
WO-2011060440-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 — — WO disclosed
WO-2011060440-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 — — 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 (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-20130035325-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 NEK2 79/4885MAP2K1 81/4885KMT2A 1498/4885
US-20150045343-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 NEK2 79/4885MAP2K1 81/4885KMT2A 1498/4885

“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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