SCHEMBL31244745

SCHEMBL31244745

N#Cc1cnc2c(c1)NC1CNCCN21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.40
HTR2B P41595 13/20 0.40
HTR2A P28223 12/20 0.40
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39

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
SCHEMBL29841752 0.81 HTR2C (0.47) HTR2CHTR2BHTR2ACHRNB2CHRNA4
SCHEMBL31244702 0.80 HTR2C (0.40) HTR2CHTR2BHTR2A
SCHEMBL31244748 0.80 HTR2C (0.40) HTR2CHTR2BHTR2A
SCHEMBL31244762 0.80 HTR2C (0.40) HTR2CHTR2BHTR2A
SCHEMBL31244797 0.78 HTR2A (0.41) HTR2CHTR2BHTR2ACHRNB2CHRNA4
SCHEMBL24639831 0.77 DRD2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31244608 0.77 HTR3A (0.39) HTR2CHTR2BHTR2ACHRNB2CHRNA4
SCHEMBL31244622 0.76 HTR2C (0.32) HTR2CHTR2BHTR2ACHRNB2CHRNA4
SCHEMBL31244813 0.74 HTR2C (0.51) HTR2CHTR2BHTR2A
SCHEMBL31244660 0.73 HTR2C (0.62) HTR2CHTR2BHTR2A

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-20240336629-A1 Tricyclic Derivatives Useful As PARP7 Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-10-10 US claimed
US-20240336629-A1 Tricyclic Derivatives Useful As PARP7 Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-10-10 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-20240336629-A1 Tricyclic Derivatives Useful As PARP7 Inhibitors PARP1, PARP2, PARP11 HTR2C 1125/4885HTR2B 726/4885HTR2A 1918/4885

“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.