SCHEMBL12067583

SCHEMBL12067583

CN1CCN(Cc2cccc(-c3cnc4[nH]cc(-c5cnc6[nH]ccc6c5)c4c3)c2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 7/20 0.81
▸ IKBKB O14920 2/20 0.81
▸ CHUK O15111 2/20 0.81
▸ ABL1 P00519 2/20 0.81
▸ INSR P06213 2/20 0.81
▸ CDK2 P24941 2/20 0.81
▸ FLT3 P36888 2/20 0.81
▸ TNIK Q9UKE5 14/20 0.67
▸ SGK1 O00141 1/20 0.67
▸ AURKA O14965 1/20 0.67
▸ PRKAB2 O43741 1/20 0.67
▸ ROCK2 O75116 1/20 0.67
▸ NTRK1 P04629 1/20 0.67
▸ LCK P06239 1/20 0.67
▸ CDK1 P06493 1/20 0.67
▸ IGF1R P08069 1/20 0.67
▸ MET P08581 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ SRC P12931 1/20 0.67
▸ FLT1 P17948 1/20 0.67

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
SCHEMBL12965684 0.90 INSR (0.64) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL15758725 0.90 MAP3K11 (0.83) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL20634223 0.90 MAP3K11 (0.67) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL12067524 0.90 MAP3K11 (1.00) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL31352939 0.87 TNIK (0.80) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL31089792 0.85 TNIK (0.86) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL12067580 0.84 TNIK (0.72) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL721023 0.82 MAP3K11 (0.93) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL15154822 0.81 MAP3K11 (0.84) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL723009 0.81 MAP3K11 (0.83) MAP3K11ABL1INSRCDK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925319-B1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIV ROCHESTER (US) 2019-01-09 — — EP disclosed
EP-2925319-B1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIV ROCHESTER (US) 2019-01-09 — — EP disclosed
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 — — US disclosed
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 — — US disclosed
US-8846909-B2 Bicyclic heteroaryl kinase inhibitors and methods of use UNIVERSITY OF ROCHESTER (US) 2014-09-30 — — US disclosed
US-8846909-B2 Bicyclic heteroaryl kinase inhibitors and methods of use UNIVERSITY OF ROCHESTER (US) 2014-09-30 — — US disclosed
WO-2014085795-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIVERSITY OF ROCHESTER (US) 2014-06-05 — — WO disclosed
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 — — US disclosed
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 — — US disclosed
WO-2011149950-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2011-12-01 — — 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-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES MLKL, MARCKS, MAP3K4 MAP3K11 25/4885IKBKB 285/4885CHUK 96/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB MAP3K11 45/4885IKBKB 487/4885CHUK 302/4885

“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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