SCHEMBL24714756

SCHEMBL24714756

CC(C)c1nccc(C2=NCCN2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
NISCH Q9Y2I1 15/20 0.49
KDM4E B2RXH2 3/20 0.46
CYP1A2 P05177 3/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 1/20 0.45
PMP22 Q01453 1/20 0.45
HTR1D P28221 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL24350163 0.78 NISCH (0.51) MAOAMAOBNISCHKDM4ECYP1A2
SCHEMBL548286 0.78 NISCH (0.55) NISCHKDM4ECYP1A2ALDH1A1CYP3A4
SCHEMBL10199676 0.74 NISCH (0.57) MAOAMAOBNISCHKDM4ECYP1A2
SCHEMBL14286968 0.68 NISCH (0.56) NISCHKDM4ECYP1A2ALDH1A1CYP3A4
SCHEMBL30382864 0.68 NISCH (0.56) NISCHKDM4ECYP1A2ALDH1A1CYP3A4
SCHEMBL2625467 0.67 AURKA (0.53) KDM4E
SCHEMBL27612098 0.67 NISCH (0.59) NISCHKDM4ECYP1A2ALDH1A1CYP3A4
SCHEMBL6845023 0.66 KDM4E (0.55) KDM4ECYP1A2ALDH1A1ALOX15LMNA
SCHEMBL28903852 0.66 TAAR1 (0.57) NISCH
SCHEMBL18719694 0.66 NISCH (1.00) MAOAMAOBNISCHLMNAHTR1D

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-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-07-28 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-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 MAOA 4572/4885MAOB 4438/4885NISCH 1589/4885

“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.