SCHEMBL22075322

SCHEMBL22075322

Fc1ccc(Cl)cc1-c1[nH]cnc1-c1ccc2ncc(N3CCNCC3)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.40
▸ CDK6 Q00534 6/20 0.38
▸ PIM1 P11309 4/20 0.38
▸ CHRNB2 P17787 4/20 0.38
▸ CHRNA4 P43681 4/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CCNH P51946 1/20 0.37
▸ MNAT1 P51948 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ HDAC3 O15379 2/20 0.36
▸ SOS1 Q07889 1/20 0.36
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35

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
SCHEMBL22075362 0.96 CHRNB2 (0.44) HTR6CDK6PIM1CHRNB2CHRNA4
SCHEMBL30579173 0.88 CDK6 (0.47) CDK6PIM1CCNT1CDK4CCNA2
SCHEMBL22075195 0.88 CDK6 (0.47) CDK6PIM1CCNT1CDK4CCNA2
SCHEMBL22075325 0.86 CNR1 (0.37) CDK6PIM1CCNT1CDK4CCNA2
SCHEMBL30579178 0.86 CNR2 (0.37) HTR6CNR1CNR2KCNH2
SCHEMBL30579275 0.86 CNR1 (0.37) CDK6PIM1CCNT1CDK4CCNA2
SCHEMBL22074878 0.86 CNR2 (0.37) HTR6CNR1CNR2KCNH2
SCHEMBL22074805 0.86 HTR6 (0.44) HTR6CDK6PIM1CHRNB2CHRNA4
SCHEMBL22075020 0.84 MPL (0.35) HTR6HDAC3CNR1CNR2KCNH2
SCHEMBL22074912 0.84 MPL (0.35) HTR6HDAC3CNR1CNR2KCNH2

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 11 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 claimed
US-20210154178-A1 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — US claimed
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
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 2117/4885CDK6 959/4885PIM1 357/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 HTR6 2117/4885CDK6 959/4885PIM1 357/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 HTR6 2117/4885CDK6 959/4885PIM1 357/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 HTR6 2117/4885CDK6 959/4885PIM1 357/4885

“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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