SCHEMBL31478624

SCHEMBL31478624

Nc1cn(Cc2ccc(F)cc2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 4/20 0.46
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
MPO P05164 1/20 0.38
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
MET P08581 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KLKB1 P03952 1/20 0.36
CYP19A1 P11511 2/20 0.35
BRD4 O60885 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
HDAC1 Q13547 1/20 0.34

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
SCHEMBL19157651 0.81 KDM5B (0.48) KDM5BKDM4ESMN1; SMN2IDO1AGXT
SCHEMBL19157579 0.81 KDM5B (0.46) KDM5BKDM4ESMN1; SMN2IDO1AGXT
SCHEMBL2968205 0.81 ALDH1A1 (0.51) KDM5BKDM4AKDM5AKDM4CALDH1A1
SCHEMBL20724164 0.79 KDM5B (0.44) KDM5BKDM4ESMN1; SMN2IDO1AGXT
SCHEMBL9714527 0.79 GRM2 (0.43) KDM5BKDM4ESMN1; SMN2KDM4AKDM5A
SCHEMBL19220556 0.78 KDM5B (0.43) KDM5BKDM4ESMN1; SMN2IDO1AGXT
SCHEMBL21199434 0.77 CYP11B1 (0.50) KDM5BKDM4AKDM5AKDM4CCYP19A1
SCHEMBL31478498 0.76 ALDH1A1 (0.47) KDM5BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2979521 0.75 CYP11B1 (0.55) SMN1; SMN2IDO1AGXTKDM4CALDH1A1
SCHEMBL21533330 0.73 KDM4C (0.36) KDM5BIDO1KDM4AKDM5AKDM4C

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-20250122171-A1 Substituted Amine Compounds, Compositions and Methods of Use DEEP APPLE THERAPEUTICS, INC. 2025-04-17 US disclosed
WO-2025064534-A1 SUBSTITUTED AMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE DEEP APPLE THERAPEUTICS, INC. (US) 2025-03-27 WO 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-20250122171-A1 Substituted Amine Compounds, Compositions and Methods of Use MRGPRX2, MRGPRX1, MRGPRX4 KDM5B 2554/4885KDM4E 3489/4885SMN1; SMN2 1078/4885

“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.