SCHEMBL3922063

SCHEMBL3922063

Cc1cc(Nc2nc(N3CCCC3c3cccnc3)nc3cccn23)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.45
ALDH1A1 P00352 4/20 0.40
CHRNA7 P36544 3/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA2 Q15822 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
PSIP1 O75475 1/20 0.40
TRPA1 O75762 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
MAPT P10636 1/20 0.40
CHRNB1 P11230 1/20 0.40
CYP2A6 P11509 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL3937697 0.90 ACVR1 (0.41) NUDT1GPR39HDAC8HDAC6
SCHEMBL3933859 0.90 NUDT1 (0.39) NUDT1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL3926831 0.87 NUDT1 (0.36) NUDT1ALDH1A1TDP1MAPTGPR39
SCHEMBL3926958 0.85 PIM1 (0.36) NUDT1ALDH1A1CHRNA7CHRNB2CHRNA4
SCHEMBL3935098 0.85 AOC3 (0.34) NUDT1MAPTKDM4EGAATSHR
SCHEMBL5144275 0.83 PDE10A (0.35) NUDT1MAPTGPR39KDM4EGAA
SCHEMBL3921299 0.82 ALDH1A1 (0.40) ALDH1A1MAPTPIK3C3KDM4EKMT2A
SCHEMBL3922617 0.78 NUDT1 (0.48) NUDT1KDM4EBLMALOX15
SCHEMBL3931669 0.77 NAPEPLD (0.39) POLB
SCHEMBL3922462 0.76 PAK4 (0.31) LMNA

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 NUDT1 4271/4885ALDH1A1 3191/4885CHRNA7 1622/4885

“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.