SCHEMBL22074805

SCHEMBL22074805

Fc1ccc(Cl)cc1-c1[nH]cnc1-c1ccc2ncc(N3CCNCC3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ CDK6 Q00534 9/20 0.42
▸ PIM1 P11309 4/20 0.42
▸ MET P08581 2/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ CCND1 P24385 5/20 0.39
▸ CDK4 P11802 4/20 0.39
▸ CCNT1 O60563 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ CDK9 P50750 3/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CDK7 P50613 2/20 0.39
▸ CCNH P51946 2/20 0.39
▸ MNAT1 P51948 2/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ CNR1 P21554 1/20 0.39

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
SCHEMBL22075231 0.96 CHRNB2 (0.49) HTR6CHRNB2CHRNA4CDK6PIM1
SCHEMBL22075137 0.86 HTR6 (0.43) HTR6CHRNB2CHRNA4CDK6PIM1
SCHEMBL22075322 0.86 HTR6 (0.40) HTR6CHRNB2CHRNA4CDK6PIM1
SCHEMBL22075389 0.83 ACVR1 (0.42) HTR6METPDE3BPDE3AKCNH2
SCHEMBL22075128 0.83 CHRNB2 (0.48) HTR6CHRNB2CHRNA4CDK6PIM1
SCHEMBL22075362 0.83 CHRNB2 (0.44) HTR6CHRNB2CHRNA4CDK6PIM1
SCHEMBL22075101 0.82 MET (0.47) CDK6METPDE3BPDE3ACDK4
SCHEMBL22075102 0.82 MET (0.47) CDK6METPDE3BPDE3ACDK4
SCHEMBL22075064 0.81 WNT1 (0.41) CDK6PIM1TNIK
SCHEMBL23416634 0.80 TNIK (0.36) CDK6PIM1TNIKHTR2AHTR3A

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 10 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-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
WO-2020123453-A2 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 — — WO 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 HTR6 2117/4885CHRNB2 851/4885CHRNA4 1377/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 HTR6 2117/4885CHRNB2 851/4885CHRNA4 1377/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 HTR6 2117/4885CHRNB2 851/4885CHRNA4 1377/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 HTR6 2117/4885CHRNB2 851/4885CHRNA4 1377/4885

“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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