SCHEMBL17249573

SCHEMBL17249573

CCCOCn1cc(CC#N)nn1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.39
GBA1 P04062 4/20 0.38
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL17239509 0.85 CYP19A1 (0.32) CYP19A1HSP90AB1
SCHEMBL17251607 0.85 CYP19A1 (0.33) CYP19A1HSP90AB1
SCHEMBL17249575 0.80 NOTUM (0.44) CYP19A1GBA1HSP90AB1
SCHEMBL17249572 0.77 CYP19A1 (0.41) CYP19A1GBA1
SCHEMBL17249574 0.72 GBA1 (0.36) CYP19A1GBA1HSP90AB1
SCHEMBL25623211 0.71 HSP90AB1 (0.35) CYP19A1GBA1HSP90AB1
SCHEMBL17878164 0.71 GBA1 (0.35) GBA1
SCHEMBL26879503 0.69 CYP19A1 (0.53) CYP19A1GBA1
SCHEMBL20805927 0.68 P2RX7 (0.37) CYP19A1GBA1HSP90AB1
SCHEMBL12033359 0.68 GBA1 (0.49) CYP19A1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328096-B2 Tropomyosin-related kinase inhibitors PFIZER INC. (US) 2016-05-03 US disclosed
US-9328096-B2 Tropomyosin-related kinase inhibitors PFIZER INC. (US) 2016-05-03 US disclosed
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER (US) 2015-11-12 US disclosed
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER (US) 2015-11-12 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-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS TPM3, MUSK, TPM4 CYP19A1 3639/4885GBA1 4032/4885HSP90AB1 344/4885

“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.