SCHEMBL21941983

SCHEMBL21941983

Nc1ccccc1N1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-c2cccc(Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
MDM2 Q00987 2/20 0.33
CNR1 P21554 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ADORA2B P29275 1/20 0.33
CYP3A4 P08684 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL17882433 0.84 MDM2 (0.36) DPP4MEN1KMT2AHPGDMDM2
SCHEMBL17882436 0.82 ABCG2 (0.39) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21941975 0.81 KDM4E (0.31) ALDH1A1MAPTKDM4ECYP3A4CYP1A2
SCHEMBL21942427 0.81 MEN1 (0.40) DPP4MEN1KMT2AHPGDALDH1A1
SCHEMBL17870867 0.80 TSHR (0.41) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL17882360 0.78 ADORA2A (0.38) MEN1KMT2AMAPTLMNAADORA2A
SCHEMBL21942266 0.78 ESR1 (0.41) HPGDLMNAHTTMDM2
SCHEMBL17882355 0.77 PDE6D (0.36) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17882401 0.76 PDE6D (0.41) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL16884747 0.73 ALDH1A1 (0.39) MEN1KMT2AHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237387-B1 HETEROCYCLIC COMPOUNDS WITH DIBENZAZAPINE STRCTURES MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
US-10636979-B2 Heterocyclic compounds with dibenzazapine structures MERCK PATENT GMBH (DE) 2020-04-28 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-10636979-B2 Heterocyclic compounds with dibenzazapine structures DDT, MAOA, MAOB DPP4 514/4885MEN1 4457/4885KMT2A 678/4885

“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.