SCHEMBL4668580

SCHEMBL4668580

Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
RECQL P46063 1/20 0.57
MDM2 Q00987 1/20 0.57
HPGD P15428 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPK1 P28482 4/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.52
POLB P06746 2/20 0.51
MAPT P10636 1/20 0.51
USP2 O75604 1/20 0.49
HIF1A Q16665 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL27883933 0.86 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL22800969 0.85 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL4668605 0.85 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL22800953 0.84 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL4668659 0.84 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL637424 0.83 ALDH1A1 (0.76) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL4667808 0.80 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL4667126 0.80 RECQL (0.76) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL15923446 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ARECQLMDM2
SCHEMBL27901097 0.80 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ARECQLMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents SOUTHERN RESEARCH INSTITUTE (US) 2023-02-14 US disclosed
US-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS OREGON HEALTH AND SCIENCE UNIVERSITY 2020-12-24 US disclosed
CN-102807568-A Thiadiazole derivative DPP-IV (dipeptidyl peptidase IV) inhibitor JIANGSU CHIA TAI TIANQING PHAR 2012-12-05 CN disclosed
EP-1404675-B1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK AS (DK) 2008-03-12 EP disclosed
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US disclosed
US-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS B (DK) 2005-07-07 US disclosed
US-6869947-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-03-22 US disclosed
WO-2004033455-A2 HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-04-22 WO disclosed
EP-1404675-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2004-04-07 EP disclosed
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2003-06-05 US disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 WO 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 (4 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-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 ALDH1A1 176/4885MEN1 4140/4885KMT2A 2165/4885
US-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS XDH, PNP, MAVS ALDH1A1 1158/4885MEN1 4456/4885KMT2A 2568/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS ALDH1A1 1158/4885MEN1 4456/4885KMT2A 2568/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 ALDH1A1 55/4885MEN1 3558/4885KMT2A 2337/4885

“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.