SCHEMBL3604237

SCHEMBL3604237

CCCc1ccc(-c2ccnc(-c3ccc(C(N)=NC(C)C)cc3)n2)c(OC)c1C(=N)N

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
MAPT P10636 4/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PTAFR P25105 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAP4K4 O95819 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL548424 0.76 MAPT (0.39) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL29524321 0.64 PRSS1 (0.48) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL8842473 0.64 PRSS1 (0.48) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL549293 0.60 MAP4K4 (0.59) KMT2AMEN1MAPTNPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL8842387 0.59 MAP4K4 (0.58) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL4410892 0.56 MAPK14 (0.61) KMT2AMEN1KDM4EMAP4K4
SCHEMBL30450668 0.55 NPC1 (0.50) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL29014979 0.55 NPC1 (0.50) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL23236596 0.54 PRKCI (0.34)
SCHEMBL30451034 0.54 CYP1A1 (0.49) KMT2AMEN1MAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120818-A1 SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-05-13 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-20100120818-A1 SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES TPD52L2, CCNT1, IDH2 KMT2A 294/4885MEN1 123/4885MAPT 3356/4885

“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.