SCHEMBL28560792

SCHEMBL28560792

NC(CCn1cncn1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.55
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TSHR P16473 1/20 0.42
EGLN3 Q9H6Z9 2/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL10926146 0.83 CYP19A1 (0.51) CYP19A1MEN1KMT2ALMNAALDH1A1
SCHEMBL12158648 0.78 CYP19A1 (0.52) CYP19A1MEN1KMT2AKDM4ELMNA
SCHEMBL28770478 0.78 CYP19A1 (0.52) CYP19A1MEN1KMT2AKDM4ELMNA
SCHEMBL28770476 0.78 CYP19A1 (0.52) CYP19A1MEN1KMT2AKDM4ELMNA
SCHEMBL7815542 0.77 CYP19A1 (0.51) CYP19A1MEN1KMT2AKDM4ELMNA
SCHEMBL7815541 0.77 CYP19A1 (0.51) CYP19A1MEN1KMT2AKDM4ELMNA
SCHEMBL27690844 0.75 CYP19A1 (0.49) CYP19A1MEN1KMT2AKDM4ELMNA
SCHEMBL27690842 0.75 CYP19A1 (0.49) CYP19A1MEN1KMT2AKDM4ELMNA
SCHEMBL10959984 0.74 CYP19A1 (0.56) CYP19A1MEN1KMT2ALMNAALDH1A1
SCHEMBL27517941 0.72 CYP19A1 (0.46) CYP19A1MEN1KMT2ALMNAALDH1A1

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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK CYP19A1 1040/4885MEN1 2223/4885KMT2A 3335/4885

“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.