SCHEMBL22102447

SCHEMBL22102447

CNCCN1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 9/20 0.50
PRMT6 Q96LA8 9/20 0.50
PRMT8 Q9NR22 2/20 0.50
PRMT1 Q99873 1/20 0.50
SIGMAR1 Q99720 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL8406260 1.00 CARM1 (0.50) CARM1PRMT6PRMT8PRMT1SIGMAR1
SCHEMBL22170455 0.79
SCHEMBL5878700 0.76 SIGMAR1 (0.36) SIGMAR1MEN1KMT2AALDH1A1TP53
SCHEMBL5878705 0.76 GNAI3 (0.38) SIGMAR1MEN1KMT2AALDH1A1TP53
SCHEMBL18782443 0.76 CARM1 (0.57) CARM1PRMT6PRMT8PRMT1MEN1
SCHEMBL21871370 0.76 CARM1 (0.52) CARM1PRMT6PRMT8PRMT1SIGMAR1
SCHEMBL18782419 0.76 CARM1 (0.57) CARM1PRMT6PRMT8PRMT1MEN1
SCHEMBL17888475 0.76 CARM1 (0.57) CARM1PRMT6PRMT8PRMT1MEN1
SCHEMBL13993953 0.75 NPSR1 (0.38) SIGMAR1MEN1KMT2AALDH1A1TP53
SCHEMBL11532068 0.75 SIGMAR1 (0.43) SIGMAR1MEN1KMT2AALDH1A1TP53

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 9 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-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 US disclosed
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 US disclosed
WO-2021102468-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 CARM1 2509/4885PRMT6 1173/4885PRMT8 705/4885
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A CARM1 2716/4885PRMT6 1221/4885PRMT8 980/4885
US-20210154178-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 CARM1 2509/4885PRMT6 1173/4885PRMT8 705/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 CARM1 2509/4885PRMT6 1173/4885PRMT8 705/4885
US-20200188370-A1 ALK5 INHIBITORS ALK, ACVR1, ACVRL1 CARM1 2509/4885PRMT6 1173/4885PRMT8 705/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A CARM1 2716/4885PRMT6 1221/4885PRMT8 980/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A CARM1 2716/4885PRMT6 1221/4885PRMT8 980/4885

“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.