SCHEMBL31699338

SCHEMBL31699338

Cn1ncnc1-c1ccc(F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.44
CYP2B6 P20813 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2E1 P05181 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
SYK P43405 1/20 0.38
MAPT P10636 4/20 0.37
JAK2 O60674 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
GSK3A P49840 1/20 0.36
RPS6KA3 P51812 1/20 0.36
LIMK1 P53667 1/20 0.36
MAP2K1 Q02750 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL30983309 0.75 KCNJ1 (0.36) MAPT
SCHEMBL9007474 0.73 KDM4E (0.34) MAPTCYP11B2
SCHEMBL24185639 0.72 NPC1 (0.39) MAPTPDE2A
SCHEMBL26542947 0.72 KDM4E (0.45) MAPTPDE2AGRIN2B
SCHEMBL22130302 0.72 ALDH1A1 (0.42) CYP3A4MAPTKDR
SCHEMBL31699326 0.71 JAK2 (0.46) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL9007469 0.71 CYP2A6 (0.49) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL822672 0.71 NR1H2 (0.47) MAPT
SCHEMBL26104326 0.71 CYP2A6 (0.64) CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1
SCHEMBL30983264 0.70 IRAK4 (0.35)

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-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds PFIZER INC. (US) 2025-10-16 US disclosed
WO-2025215579-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2025-10-16 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-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds HRH4, HNMT, NNT CYP2A6 3147/4885CYP2B6 1734/4885CYP3A4 953/4885

“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.