SCHEMBL24075461

SCHEMBL24075461

CCNn1c(C)c(C(=O)NC(c2ccccc2)C2CC2)c2cccc(F)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 15/20 0.46
CYP2C9 P11712 2/20 0.44
RIPK1 Q13546 1/20 0.40
SMYD3 Q9H7B4 2/20 0.39

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
SCHEMBL2148836 1.00 TACR3 (0.46) TACR3CYP2C9RIPK1SMYD3
SCHEMBL7951091 0.94 TACR3 (0.42) TACR3CYP2C9
SCHEMBL7946365 0.93 TACR3 (0.45) TACR3CYP2C9RIPK1SMYD3
SCHEMBL7948901 0.92 CYP2C9 (0.50) TACR3CYP2C9RIPK1
SCHEMBL7949103 0.91 TACR3 (0.45) TACR3CYP2C9RIPK1
SCHEMBL7954227 0.90 PDE2A (0.42) TACR3CYP2C9
SCHEMBL7954512 0.90 TACR3 (0.39) TACR3CYP2C9
SCHEMBL2149581 0.90 TACR3 (0.43) TACR3CYP2C9RIPK1SMYD3
SCHEMBL2169904 0.90 TACR3 (0.48) TACR3CYP2C9RIPK1
SCHEMBL16566393 0.89 CYP2C9 (0.47) TACR3CYP2C9SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371385-A1 POLYMORPHIC AND AMORPHOUS FORMS OF ISOQUINOLINONE AND METHODS OF USE THEREOF SOJOURNIX INC (US) 2021-12-02 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 (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-20210371385-A1 POLYMORPHIC AND AMORPHOUS FORMS OF ISOQUINOLINONE AND METHODS OF USE THEREOF HLA-DRB1, HLA-B, APBA1 TACR3 3828/4885CYP2C9 1407/4885RIPK1 2213/4885

“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.