SCHEMBL3689991

SCHEMBL3689991

Cc1c(Br)cccc1N1C=NCc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
JAK2 O60674 1/20 0.31
BTK Q06187 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 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
SCHEMBL145048 0.86 MEN1 (0.31) ALDH1A1HPGDSMN1; SMN2
SCHEMBL145352 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL148300 0.84 P2RX7 (0.38) JAK2BTK
SCHEMBL148801 0.84 P2RX7 (0.38) JAK2BTK
SCHEMBL145684 0.82 JAK2 (0.38) JAK2BTK
SCHEMBL148363 0.78 JAK2 (0.39) JAK2BTK
SCHEMBL4097279 0.72 ADRA2A (0.46) ALDH1A1HPGDSMN1; SMN2ADRA2AADRA2B
SCHEMBL124283 0.70 ALDH1A1 (0.58) ALDH1A1HPGDSMN1; SMN2
SCHEMBL904810 0.68 ADRA2C (0.41) ALDH1A1HPGDSMN1; SMN2ADRA2AADRA2B
SCHEMBL3689993 0.65 P2RX7 (0.33) ALDH1A1JAK2BTK

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-8084620-B2 Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-27 US disclosed
US-20100160303-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 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-20100160303-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, FLT3, JAK1 ALDH1A1 3832/4885HPGD 4175/4885SMN1; SMN2 4428/4885

“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.