SCHEMBL25640424

SCHEMBL25640424

C/C(=N\c1cccc(C)c1)c1cncnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
RAB9A P51151 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
IDE P14735 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GRM5 P41594 2/20 0.42

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
SCHEMBL27044650 0.84 RAB9A (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15137103 0.80 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25640319 0.80 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25640339 0.80 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15137101 0.80 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15143941 0.80 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25455827 0.76 MPI (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14816937 0.73 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21241357 0.73 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL26277390 0.72 CYP19A1 (0.33) RAB9AMAPTSMN1; SMN2MEN1KMT2A

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-11731944-B2 SARS-CoV-2 inhibitors for treating coronavirus infections INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
US-20230192624-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 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 (2 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-20230192624-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 HTR3E 2747/4885HTR3B 1691/4885HTR3A 3165/4885
US-11731944-B2 SARS-CoV-2 inhibitors for treating coronavirus infections ACE2, ACE, SARS1 HTR3E 2747/4885HTR3B 1691/4885HTR3A 3165/4885

“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.