SCHEMBL27210382

SCHEMBL27210382

C#CCN(C#N)Cc1ccc(OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 6/20 0.64
▸ APLNR P35414 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAOB P27338 6/20 0.41
▸ MAOA P21397 5/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BCHE P06276 1/20 0.38

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
SCHEMBL3575246 0.86 ALDH1A1 (0.55) PYCR1APLNRALDH1A1MAOBMAOA
SCHEMBL27210386 0.80 PYCR1 (0.72) PYCR1APLNRALDH1A1MAOBMAOA
SCHEMBL29235425 0.78 PYCR1 (1.00) PYCR1ALDH1A1MAOBMAOALMNA
SCHEMBL15662442 0.71 PYCR1 (0.70) PYCR1APLNRALDH1A1MAOBLMNA
SCHEMBL4739963 0.70 PYCR1 (0.64) PYCR1APLNRALDH1A1LMNAMAPT
SCHEMBL11411730 0.70 — —
SCHEMBL4137602 0.69 PYCR1 (0.56) PYCR1ALDH1A1MAOBMAPTIDO1
SCHEMBL5270803 0.68 APLNR (0.59) PYCR1APLNRALDH1A1LMNAMAPT
SCHEMBL12049800 0.68 APLNR (0.59) PYCR1APLNRALDH1A1LMNAMAPT
SCHEMBL3803477 0.67 IDO1 (0.52) PYCR1MAOBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240140931-A1 TRICYCLIC COMPOUNDS AND USES THEREOF HUTCHMED LIMITED (CN) 2024-05-02 — — US disclosed
EP-4288436-A1 TRICYCLIC COMPOUNDS AND USES THEREOF HUTCHMED Limited (CN) 2023-12-13 — — EP disclosed
CN-116940573-A Tricyclic compounds and uses thereof 和记黄埔医药(上海)有限公司 2023-10-24 — — CN 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 (1 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-20240140931-A1 TRICYCLIC COMPOUNDS AND USES THEREOF CYP2C19, CYP3A7, CYP11B2 PYCR1 1475/4885APLNR 4346/4885ALDH1A1 438/4885

“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.

Send feedback