SCHEMBL26923116

SCHEMBL26923116

Cn1cc2c(C3CC3)c(Br)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
PTPN11 Q06124 3/20 0.31
BRD4 O60885 2/20 0.31
CREBBP Q92793 2/20 0.31
KDM4E B2RXH2 1/20 0.30
NSD2 O96028 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CDK2 P24941 1/20 0.30
FLT3 P36888 1/20 0.30
CCNA1 P78396 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL13511734 0.81 MTNR1A (0.41) MTNR1AMTNR1BPTPN11BRD4CREBBP
SCHEMBL543260 0.76 HTR2C (0.39) MTNR1AMTNR1B
SCHEMBL543395 0.76 MTNR1A (0.36) MTNR1AMTNR1B
SCHEMBL15514759 0.74 MAPT (0.37) MTNR1AMTNR1BBRD4CREBBPKDM4E
SCHEMBL31500716 0.73 KDM4E (0.41) MTNR1AMTNR1BKDM4ENSD2ALDH1A1
SCHEMBL21631668 0.73 MET (0.35) MTNR1AMTNR1BPTPN11KDM4ENSD2
SCHEMBL21631652 0.73 PTPN11 (0.36) PTPN11KDM4ENSD2ALDH1A1MAPT
SCHEMBL31500719 0.73 ALDH1A1 (0.33) MTNR1AMTNR1BKDM4ENSD2ALDH1A1
SCHEMBL29303477 0.71 MAT2A (0.33)
SCHEMBL21631665 0.70 NQO2 (0.42) KDM4ENSD2ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PROMIDIS S.R.L. (IT) 2024-04-04 US disclosed
EP-4288431-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2023-12-13 EP disclosed
WO-2022167682-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-08-11 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-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PTPN22, PTPN2, PTPN5 MTNR1A 3306/4885MTNR1B 2968/4885PTPN11 11/4885

“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.