SCHEMBL25554348

SCHEMBL25554348

Cn1nc(C2CC2)cc1Oc1cc(C#N)ccc1-c1ccc(CN)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.37
NSD2 O96028 7/20 0.36
CYP11B2 P19099 3/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
MAOA P21397 1/20 0.32
GRM5 P41594 1/20 0.31
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL30353119 1.00 KDM1A (0.37) KDM1ANSD2CYP11B2CYP19A1CYP11B1
SCHEMBL25554560 0.94 NSD2 (0.34) KDM1ANSD2CYP11B2CYP19A1CYP11B1
SCHEMBL30257448 0.93 KDM1A (0.36) KDM1ANSD2CYP11B2CYP19A1CYP11B1
SCHEMBL25554123 0.93 KDM1A (0.36) KDM1ANSD2CYP11B2CYP19A1CYP11B1
SCHEMBL25058439 0.91
SCHEMBL25555964 0.91 LRRK2 (0.34) KDM1ANSD2CYP11B2CYP19A1CYP11B1
SCHEMBL25555995 0.90 NSD2 (0.33) KDM1ANSD2ALOX5APFEN1
SCHEMBL30353054 0.90 NSD2 (0.35) KDM1ANSD2CYP11B2CYP19A1CYP11B1
SCHEMBL25554344 0.90 NSD2 (0.35) KDM1ANSD2CYP11B2CYP19A1CYP11B1
SCHEMBL30257482 0.89 FEN1 (0.36) KDM1ANSD2CYP11B2CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN claimed
US-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2023-06-01 US disclosed
US-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2023-06-01 US disclosed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 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-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE ARRB1, NR3C2, TRPC6 KDM1A 4415/4885NSD2 3265/4885CYP11B2 364/4885

“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.