SCHEMBL7112017

SCHEMBL7112017

Nc1nc(N[C@@H](CO)Cc2ccccc2)cc(-c2cc(-c3ccc(O)cc3)ccc2O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ AGPAT2 O15120 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ RPS6KA5 O75582 2/20 0.38
▸ RPS6KA4 O75676 2/20 0.38
▸ PRKACA P17612 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ PRKX P51817 2/20 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
SCHEMBL7112015 1.00 TPH1 (0.39) TPH1MEN1MAPTKMT2AKDM4E
SCHEMBL7116366 1.00 TPH1 (0.39) TPH1MEN1MAPTKMT2AKDM4E
SCHEMBL7113452 0.88 CXCR2 (0.36) TPH1MEN1MAPTKMT2AAGPAT2
SCHEMBL7113448 0.88 CXCR2 (0.36) TPH1MEN1MAPTKMT2AAGPAT2
SCHEMBL7110100 0.84 CCNC (0.48) TPH1MEN1MAPTKMT2AAGPAT2
SCHEMBL7112533 0.84 CCNC (0.48) TPH1MEN1MAPTKMT2AAGPAT2
SCHEMBL7113529 0.84 HPGDS (0.42) PRKACAMAPK1
SCHEMBL7113526 0.84 HPGDS (0.42) PRKACAMAPK1
SCHEMBL7112022 0.82 HRH4 (0.42) TPH1MEN1MAPTKMT2AAGPAT2
SCHEMBL7114577 0.79 AGPAT2 (0.41) TPH1MEN1MAPTKMT2AAGPAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 — — US disclosed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 — — 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 (2 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-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 TPH1 1723/4885MEN1 2839/4885MAPT 1057/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 TPH1 1723/4885MEN1 2839/4885MAPT 1057/4885

“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