SCHEMBL3923480

SCHEMBL3923480

O=C(NCC1CCCO1)c1cc(Nc2nc(N3CCCC3c3ccccn3)nc3cccn23)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.44
HSD17B10 Q99714 5/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 3/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KLK7 P49862 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NUDT1 P36639 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3935795 0.90 NUDT1 (0.42) NUDT1
SCHEMBL3922760 0.87 NUDT1 (0.43) NUDT1
SCHEMBL3923441 0.86 NUDT1 (0.43) NUDT1
SCHEMBL3932222 0.86 IGF1R (0.43) NUDT1
SCHEMBL3922255 0.86 NUDT1 (0.41) ALDH1A1NUDT1
SCHEMBL3932770 0.85 NUDT1 (0.40) NUDT1
SCHEMBL3931611 0.85 NUDT1 (0.40) NUDT1
SCHEMBL3932640 0.85 NUDT1 (0.42) HPGDKDM4EKMT2ANUDT1
SCHEMBL3922920 0.85 NUDT1 (0.40) NUDT1
SCHEMBL3927139 0.85 NUDT1 (0.53) HSD17B10HPGDALDH1A1KDM4EPOLB

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 RXFP1 3519/4885HSD17B10 2483/4885HPGD 2453/4885

“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.