SCHEMBL3298802

SCHEMBL3298802

Nc1ccc2ncn(-c3ncccn3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
FGFR1 P11362 1/20 0.49
LCK P06239 1/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
RPS6KA5 O75582 1/20 0.43
MAP3K14 Q99558 3/20 0.42
POLB P06746 1/20 0.41
ROCK1 Q13464 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
SCHEMBL3299749 0.86 FGFR1 (0.66) MKNK1MKNK2FGFR1LCKMAPT
SCHEMBL19848656 0.79 FGFR1 (0.76) FGFR1ALDH1A1HTT
SCHEMBL20627632 0.79 FGFR1 (0.60) MKNK1MKNK2FGFR1MAPTALDH1A1
SCHEMBL19848657 0.78 FGFR1 (0.55) FGFR1LCKMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL29689750 0.76 FGFR1 (0.54) FGFR1LCKMAPTALDH1A1SMN1; SMN2
SCHEMBL2465676 0.76 MKNK2 (0.67) MKNK1MKNK2FGFR1ALDH1A1HTT
SCHEMBL9769510 0.74 FGFR1 (0.44) FGFR1LCKMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2491050 0.74 MKNK2 (0.65) MKNK1MKNK2FGFR1ALDH1A1HTT
SCHEMBL14748166 0.73 FGFR1 (0.61) FGFR1MAPTALDH1A1SMN1; SMN2
SCHEMBL3852532 0.73 FGFR1 (0.54) FGFR1MAPTALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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 (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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 MKNK1 2534/4885MKNK2 2740/4885FGFR1 1825/4885

“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.