SCHEMBL10001044

SCHEMBL10001044

Cc1nc(O)c2cccn2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
MIF P14174 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
PDE5A O76074 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
PDE4A P27815 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL4107521 0.80 PTPN1 (0.44) PTPN2PTPN1MIFALDH1A1MEN1
SCHEMBL10001045 0.77 EGFR (0.33) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL22611735 0.77 AHR (0.34) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL10001046 0.77 JAK2 (0.42) EGFRMAP4K4
SCHEMBL28381150 0.77 MAP4K4 (0.32) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL23889678 0.77 TGFBR1 (0.35) PTPN2PTPN1MIFALDH1A1MEN1
SCHEMBL10292423 0.77 PTPN1 (0.38) PTPN2PTPN1MIFALDH1A1MEN1
SCHEMBL5080208 0.77 MAP4K4 (0.47) PTPN2PTPN1ALDH1A1ADORA2AADORA1
SCHEMBL18701491 0.77 NPSR1 (0.33) MIFALDH1A1MEN1PDE5ACYP1A2
SCHEMBL28378560 0.77 TGFBR1 (0.39) MIFALDH1A1MEN1PDE5ACYP1A2

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-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-8148523-B2 Intermediates useful in preparing certain pyrrolotriazine compounds and a process for making the intermediates BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR PTPN2 2590/4885PTPN1 2639/4885MIF 1409/4885

“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.