SCHEMBL146122

SCHEMBL146122

O=C1NCCN1C1NCCN1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CDA P32320 2/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL14244119 0.73
SCHEMBL17599191 0.70
SCHEMBL20796771 0.70 MAPK1 (0.35) ALDH1A1KDM4EPOLBCDAHSD11B1
SCHEMBL17138583 0.70 KDM4E (0.39) ALDH1A1KDM4ECDAHSD11B1
SCHEMBL9202125 0.70 KDM4E (0.39) ALDH1A1KDM4EPOLBHSD11B1
SCHEMBL726957 0.68 HTR2C (0.40) ALDH1A1KDM4EHSD11B1
SCHEMBL16058686 0.68 HSD11B1 (0.35) ALDH1A1KDM4EPOLBCDAHSD11B1
SCHEMBL3093245 0.68 PDE7A (0.41) ALDH1A1KDM4EPOLBHSD11B1
SCHEMBL16199876 0.68 ALDH1A1 (0.42) ALDH1A1KDM4E
SCHEMBL10807373 0.67 TGM2 (0.34) ALDH1A1KDM4EHSD11B1

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-20120058996-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US claimed
US-20120058996-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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-20120058996-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, FLT3, JAK1 ALDH1A1 3832/4885KDM4E 733/4885POLB 3512/4885

“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.