SCHEMBL12209797

SCHEMBL12209797

Nc1cccc(CNc2nc(Cl)ncc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 11/20 0.47
▸ BPTF Q12830 1/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ CCNT1 O60563 1/20 0.46
▸ AURKA O14965 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ TMIGD3 P0DMS9 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ APP P05067 1/20 0.43
▸ NTRK3 Q16288 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ PDE2A O00408 1/20 0.43

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
Hydrochloric Acid SCHEMBL2522208 0.99 NTRK1 (0.46) NTRK1BPTFABL1CCNT1AURKA
Hydrochloric Acid SCHEMBL2522205 0.97 NTRK1 (0.46) NTRK1BPTFABL1CCNT1AURKA
SCHEMBL1073861 0.87 MAP3K8 (0.46) NTRK1BPTFABL1NTRK3NTRK2
SCHEMBL28713125 0.86 NTRK1 (0.62) NTRK1CCNT1NTRK3NTRK2
SCHEMBL29392704 0.86 NTRK1 (0.62) NTRK1CCNT1NTRK3NTRK2
SCHEMBL2514436 0.84 NTRK1 (0.51) NTRK1AURKARPS6KB1
SCHEMBL2519977 0.84 AURKA (0.50) NTRK1AURKARPS6KB1NTRK3NTRK2
SCHEMBL14662240 0.83 APP (0.58) NTRK1APP
SCHEMBL2518146 0.81 CCNK (0.56) ABL1APP
SCHEMBL30468404 0.79 PTK2 (0.51) NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 — — US disclosed
US-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 — — US disclosed
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 — — US disclosed
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 — — US disclosed
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 — — US disclosed
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 — — US disclosed
WO-2010085597-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 — — 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-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK NTRK1 1080/4885BPTF 1464/4885ABL1 10/4885
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK NTRK1 1080/4885BPTF 1464/4885ABL1 10/4885

“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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