SCHEMBL27202016

SCHEMBL27202016

C[C@]1(c2cccc(F)c2)CCCN1c1ccn2ncc(NC(=O)N3CC(O)C3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 1.00
NTRK3 Q16288 3/20 0.52
NTRK2 Q16620 3/20 0.52
ROS1 P08922 1/20 0.52
TNK2 Q07912 1/20 0.52
SMPD3 Q9NY59 1/20 0.52

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
SCHEMBL21412815 1.00 NTRK1 (1.00) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL2239197 1.00 NTRK1 (1.00) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL21364723 0.82 NTRK1 (0.70) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL22923183 0.81 NTRK1 (0.68) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL2238233 0.79 NTRK1 (0.64) NTRK1SMPD3
SCHEMBL26561842 0.79 NTRK1 (0.65) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL26561845 0.79 NTRK1 (0.65) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL21365137 0.78 NTRK1 (0.64) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL2237826 0.77 NTRK1 (1.00) NTRK1NTRK3NTRK2ROS1TNK2
SCHEMBL2237820 0.77 NTRK1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132500-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2024-04-25 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 (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-20240132500-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 NTRK1 2409/4885NTRK3 2974/4885NTRK2 2977/4885

“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.