SCHEMBL24110985

SCHEMBL24110985

COc1ccc(-n2c(Nc3cccnc3)nc3ccc(F)cc3c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.50
CYP1A2 P05177 5/20 0.44
CYP3A4 P08684 5/20 0.44
USP2 O75604 4/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP2C9 P11712 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 3/20 0.44
MAPK9 P45984 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CYP19A1 P11511 1/20 0.44
HTR7 P34969 2/20 0.44
TRPV4 Q9HBA0 3/20 0.43
PIK3CD O00329 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL23958161 0.91 PIK3CD (0.43) G6PDCYP1A2CYP3A4USP2TSHR
SCHEMBL23958196 0.91 ADORA2A (0.49) CYP1A2CYP3A4USP2TSHRALDH1A1
SCHEMBL24110971 0.91 POLB (0.46) KMT2AHTR7PIK3CDABCG2
SCHEMBL30103265 0.89 POLB (0.50) G6PDTSHRALDH1A1PIK3CDKCNH2
SCHEMBL24110913 0.89 POLB (0.50) G6PDTSHRALDH1A1PIK3CDKCNH2
SCHEMBL29738614 0.89 PIK3CD (0.46) KMT2APIK3CDABCG2
SCHEMBL23958265 0.89 PIK3CD (0.46) KMT2APIK3CDABCG2
SCHEMBL24110979 0.88 CYP19A1 (0.52) G6PDCYP1A2CYP3A4USP2TSHR
SCHEMBL24111022 0.87 PIK3CD (0.42) CYP1A2CYP3A4CYP2C9CYP2C19CYP19A1
SCHEMBL23958245 0.87 PIK3CD (0.50) CYP1A2ALDH1A1KMT2APIK3CD

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-20210387967-A1 2-HETEROARYL AMINOQUINAZOLINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-12-16 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-20210387967-A1 2-HETEROARYL AMINOQUINAZOLINONE DERIVATIVE CRKL, CLIC4, CLIC1 G6PD 1971/4885CYP1A2 165/4885CYP3A4 10/4885

“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.