SCHEMBL3928058

SCHEMBL3928058

Cc1cc(Nc2nc(N3CCC(CC(=O)O)C3)nc3cccn23)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 10/20 0.38
TTR P02766 6/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FFAR4 Q5NUL3 3/20 0.35
SYK P43405 2/20 0.35
JAK2 O60674 1/20 0.35
POLB P06746 1/20 0.35
KHK P50053 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL3935055 0.79 CHIT1 (0.39) KDM4E
SCHEMBL3931669 0.79 NAPEPLD (0.39) POLB
SCHEMBL3921538 0.78 CYP3A4 (0.34) KDM4EHSD17B10
SCHEMBL1722967 0.78 JAK2 (0.42) KDM4EALDH1A1JAK2POLB
SCHEMBL1710850 0.78 JAK2 (0.49) ALDH1A1TSHRJAK2POLB
SCHEMBL3925912 0.77 PDE9A (0.34) RBP4KDM4EALDH1A1HSD17B10
SCHEMBL3933865 0.77 PDE9A (0.36) ALDH1A1
SCHEMBL5144275 0.77 PDE10A (0.35) KDM4ETSHR
SCHEMBL3920661 0.77 NPC1 (0.37) KDM4EALDH1A1HPGDPOLB
SCHEMBL3922462 0.76 PAK4 (0.31) RBP4

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
EP-2051980-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP 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

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 RBP4 4569/4885TTR 2961/4885KDM4E 1939/4885

“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.