SCHEMBL22013365

SCHEMBL22013365

O=C(Nc1ccnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.67
NTRK3 Q16288 3/20 0.67
NTRK2 Q16620 3/20 0.67
ROS1 P08922 1/20 0.67
TNK2 Q07912 1/20 0.67
SMPD3 Q9NY59 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
SCHEMBL28596705 1.00 NTRK1 (0.67) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL29692858 1.00 NTRK1 (0.67) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL29692832 1.00 NTRK1 (0.67) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL22013105 0.89 NTRK1 (0.53) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL28605198 0.89 NTRK1 (0.53) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL29692813 0.89 NTRK1 (0.53) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL22013100 0.86 NTRK1 (0.51) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL28596748 0.86 NTRK1 (0.51) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL29692846 0.86 NTRK1 (0.51) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL28362354 0.84 NTRK1 (0.67) NTRK1NTRK3NTRK2ROS1TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166141-B Hexa-membered and hexa-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors 上海轶诺药业有限公司 2022-07-22 CN disclosed
US-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-01-20 US disclosed
EP-3882247-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-09-22 EP disclosed
EP-3882247-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-09-22 EP disclosed
CN-113166141-A Hexa-membered and hexa-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors 上海轶诺药业有限公司 2021-07-23 CN disclosed
WO-2020098723-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 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 (1 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-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, ERBB2, ERBB3 NTRK1 40/4885NTRK3 50/4885NTRK2 56/4885

“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.