SCHEMBL13840985

SCHEMBL13840985

CC(C)C(=O)NC1=CCCC=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MDM4 O15151 2/20 0.37
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 3/20 0.36
MDM2 Q00987 1/20 0.36
CETP P11597 1/20 0.35
TSHR P16473 1/20 0.35
ADORA1 P30542 1/20 0.35
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL12156944 0.79 TSHR (0.34) TSHR
SCHEMBL5960697 0.79 SMN1; SMN2 (0.34) KMT2AALDH1A1MAPTMEN1TSHR
SCHEMBL27644272 0.78 L3MBTL1 (0.44) KMT2AALDH1A1MAPTMEN1NPSR1
SCHEMBL25611951 0.78
SCHEMBL6365369 0.76 CA12 (0.31) ALDH1A1CA12CA1CA2CA9
SCHEMBL6365373 0.76 CA12 (0.31) ALDH1A1CA12CA1CA2CA9
SCHEMBL10140100 0.76 ALDH1A1 (0.39) KMT2AALDH1A1MAPTSMN1; SMN2RECQL
SCHEMBL18726609 0.75 GAA (0.34) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL19675270 0.74
SCHEMBL22019074 0.72 NPC1 (0.38) KMT2AALDH1A1MAPTMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 KMT2A 1500/4885ALDH1A1 3191/4885MAPT 2023/4885

“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.