SCHEMBL2776723

SCHEMBL2776723

Cc1nc(-c2ccccc2)n2c1-c1ccccc1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 2/20 0.39
TSHR P16473 2/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL2776430 0.79 MAOA (0.40) PARP1NPC1RAB9AMAPTKDM4E
SCHEMBL2792755 0.71 MAPT (0.47) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL7143476 0.71 CES1 (0.47) PARP1NPC1RAB9AMAPTKDM4E
SCHEMBL2790456 0.70 BCAT2 (0.42) MAPTKDM4EPKMKMT2AALDH1A1
SCHEMBL18174069 0.68 BCAT2 (0.37) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL29802287 0.67 KDM4E (0.71) NPC1RAB9AKDM4ESMN1; SMN2PKM
SCHEMBL29129163 0.67 ACHE (0.56) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL13185710 0.66 KMT2A (0.40) NPC1RAB9AKDM4ESMN1; SMN2PKM
SCHEMBL14266176 0.66 TSHR (0.48) PARP1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL30501483 0.66 MTNR1A (0.40) PARP1NPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435433-B1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS MERCK SHARP & DOHME (NL) 2013-08-28 EP disclosed
US-8071587-B2 (Dihydro)imidazoiso[5,1-A]quinolines N. V. ORGANON (NL) 2011-12-06 US disclosed
US-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES N.V. ORGANON (NL) 2010-12-23 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-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES NQO2, IPO5, SCN5A PARP1 822/4885NPC1 760/4885RAB9A 983/4885

“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.