SCHEMBL897723

SCHEMBL897723

CC(C#N)Cc1ccnc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
KCNQ2 O43526 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
KCNH2 Q12809 1/20 0.36
AAK1 Q2M2I8 4/20 0.35
KCNH3 Q9ULD8 6/20 0.35
FFAR1 O14842 1/20 0.32
JAK1 P23458 1/20 0.31
NR3C2 P08235 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL12880418 0.80 LOXL2 (0.57) LOXL2KCNQ2CYP3A4ALOX15TSHR
SCHEMBL897832 0.73 LOXL2 (0.57) LOXL2KCNQ2CYP3A4ALOX15TSHR
SCHEMBL29894545 0.73 LOXL2 (0.57) LOXL2KCNQ2CYP3A4ALOX15TSHR
SCHEMBL8499039 0.72 TAAR1 (0.43)
SCHEMBL8763089 0.71 ESR2 (0.42) CYP3A4TSHR
SCHEMBL12880427 0.70 LOXL2 (0.53) LOXL2KCNQ2CYP3A4ALOX15TSHR
SCHEMBL6468413 0.70
SCHEMBL17275650 0.70 CYP1A2 (0.33) CYP3A4ALOX15ADRA1AKCNH2
SCHEMBL12536053 0.69 LOXL2 (0.57) LOXL2KCNQ2CYP3A4ALOX15TSHR
SCHEMBL12880430 0.68 LOXL2 (0.50) LOXL2KCNQ2CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed
US-20160340308-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-24 US disclosed
US-9440922-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-13 US disclosed
EP-2441753-B1 TETRACYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-03-30 EP disclosed
EP-2975024-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-20 EP disclosed
US-9126931-B2 Tetracyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-09-08 US disclosed
US-20150150845-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 US disclosed
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 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 (5 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 LOXL2 1849/4885KCNQ2 800/4885CYP3A4 2585/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 LOXL2 1849/4885KCNQ2 800/4885CYP3A4 2585/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 LOXL2 1849/4885KCNQ2 800/4885CYP3A4 2585/4885
US-20160340308-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 LOXL2 1849/4885KCNQ2 800/4885CYP3A4 2585/4885
US-20150150845-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 LOXL2 1849/4885KCNQ2 800/4885CYP3A4 2585/4885

“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.