SCHEMBL4177969

SCHEMBL4177969

Cc1c(I)cccc1CNC1CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.41
PDCD1 Q15116 3/20 0.41
KDM1A O60341 1/20 0.40
HTT P42858 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.36
ACHE P22303 3/20 0.36
BACE1 P56817 3/20 0.36
BCHE P06276 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PABPC1 P11940 1/20 0.35

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
SCHEMBL56141 0.82 P2RX7 (0.43) CD274PDCD1HTTKMT2AMEN1
SCHEMBL16334969 0.82 KDM1A (0.56) KDM1AHTTKMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL3354807 0.81 MEN1 (0.42) CD274PDCD1HTTKMT2AMEN1
SCHEMBL736962 0.79 GLA (0.53) CD274PDCD1HTTKMT2AMEN1
SCHEMBL28845414 0.79 LMNA (0.43) KDM1AHTTKMT2ALMNAMEN1
SCHEMBL736318 0.79 CHRM3 (0.41) CD274PDCD1KDM1AHTTKMT2A
SCHEMBL695671 0.77 MEN1 (0.52) CD274PDCD1KDM1AHTTKMT2A
SCHEMBL738172 0.76 P2RX7 (0.50) CD274PDCD1
SCHEMBL9278692 0.75 PABPC1 (0.49) HTTKMT2ALMNAMEN1GLA
SCHEMBL2466537 0.74 ACHE (0.47) HTTKMT2ALMNAMEN1RAB9A

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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 CD274 4664/4885PDCD1 4466/4885KDM1A 2386/4885

“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.