SCHEMBL22075307

SCHEMBL22075307

NC1CC=C(c2cnc3ccc(-c4c[nH]nc4-c4ccc(F)c(F)c4)nc3c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ BCL9 O00512 1/20 0.30
▸ CTNNB1 P35222 1/20 0.30
▸ ERN1 O75460 1/20 0.30

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
SCHEMBL30579175 1.00 CCNT1 (0.33) CCNT1CDK9PDGFRBPDGFRABCL9
SCHEMBL30579142 0.89 SSTR2 (0.34) CCNT1CDK9ERN1
SCHEMBL22074898 0.89 SSTR2 (0.34) CCNT1CDK9ERN1
SCHEMBL22075319 0.87 SLC6A4 (0.38) PDGFRBPDGFRA
SCHEMBL30579236 0.87 SLC6A4 (0.38) PDGFRBPDGFRA
SCHEMBL22075093 0.85 CDK9 (0.33) CCNT1CDK9PDGFRBPDGFRAERN1
SCHEMBL30579139 0.85 CDK9 (0.33) CCNT1CDK9PDGFRBPDGFRAERN1
SCHEMBL22075249 0.83 CCNT1 (0.41) CCNT1CDK9ERN1
SCHEMBL30579191 0.83 CCNT1 (0.41) CCNT1CDK9ERN1
SCHEMBL22074854 0.82 PDE10A (0.33) CCNT1CDK9ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 — — US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 — — US disclosed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — US disclosed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — US disclosed
US-10952996-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-23 — — US disclosed
US-10952996-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-23 — — US disclosed
US-20200188370-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 — — US disclosed
US-20200188370-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 — — 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 (4 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-10952996-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 CCNT1 4564/4885CDK9 1029/4885PDGFRB 56/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 CCNT1 4564/4885CDK9 1029/4885PDGFRB 56/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 CCNT1 4564/4885CDK9 1029/4885PDGFRB 56/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 CCNT1 4564/4885CDK9 1029/4885PDGFRB 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.

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