SCHEMBL3623976

SCHEMBL3623976

c1nc2cc3cn[nH]c3cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.58
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CHEK1 O14757 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
MAPK1 P28482 2/20 0.42
ROCK2 O75116 2/20 0.41
JAK2 O60674 1/20 0.41
PAK4 O96013 1/20 0.41
PIM1 P11309 1/20 0.41
KDR P35968 1/20 0.41
GSK3B P49841 1/20 0.41
AURKB Q96GD4 1/20 0.41
NOS1 P29475 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL5129566 0.92 MKNK1 (0.63) MKNK1MAPTKDM4EALDH1A1TDP1
SCHEMBL12445185 0.76 MAPT (0.65) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL11487370 0.75 MKNK1 (0.60) MKNK1MAPTKDM4EALDH1A1TDP1
SCHEMBL11263951 0.74 MKNK1 (1.00) MKNK1ALDH1A1CHEK1BLMPIM1
SCHEMBL842550 0.74 CHEK1 (0.52) MKNK1MAPTKDM4EALDH1A1TDP1
SCHEMBL14511179 0.73 MAPT (0.68) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL4498108 0.71 MAPT (0.48) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL4132133 0.69 KDM4E (0.52) MAPTKDM4EALDH1A1TDP1APEX1
Benzimidazole SCHEMBL1923214 0.69 HSP90AA1 (0.66) MKNK1MAPTKDM4EALDH1A1TDP1
Dimedazol SCHEMBL312977 0.69 MAPT (0.56) MAPTKDM4EALDH1A1TDP1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
EP-2117311-A1 THERAPEUTIC AGENTS Merck & Co., Inc. (US) 2009-11-18 EP disclosed
US-20080287430-A1 Furan Compounds Useful As Ep1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
WO-2008097538-A1 THERAPEUTIC AGENTS MERCK & CO., INC. (US) 2008-08-14 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 (2 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-20080287430-A1 Furan Compounds Useful As Ep1 Receptor Antagonists PTGER1, PTGER2, PTGER3 MKNK1 3788/4885MAPT 4861/4885KDM4E 2753/4885
US-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 MKNK1 2012/4885MAPT 11/4885KDM4E 3970/4885

“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.