SCHEMBL22004673

SCHEMBL22004673

N#Cc1c[nH]nc1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.53
MCL1 Q07820 1/20 0.45
KDM5A P29375 1/20 0.44
LRRK2 Q5S007 1/20 0.43
CNR1 P21554 3/20 0.42
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 3/20 0.38
GRM5 P41594 2/20 0.37

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
SCHEMBL28241531 0.82 ERBB2 (0.53) ERBB2MCL1KDM5AMYCWDR5
SCHEMBL4219751 0.81 ERBB2 (0.50) ERBB2MCL1KDM5AALDH1A1KDM4E
SCHEMBL4215656 0.80 ERBB2 (0.49) ERBB2MCL1KDM5AALDH1A1KDM4E
SCHEMBL29024294 0.76 VCAM1 (0.43) MCL1ALDH1A1KDM4ELMNAMEN1
SCHEMBL27659883 0.76 CHUK (0.53) LRRK2
SCHEMBL8431445 0.75 ERBB2 (0.43) ERBB2KDM4ELMNAHTR1DHTR2A
SCHEMBL19897377 0.73 KDM5A (0.43) KDM5ALRRK2ALDH1A1KDM4E
SCHEMBL11937878 0.72 LRRK2 (0.46) LRRK2ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL8884581 0.72 LRRK2 (0.47) LRRK2CNR1MYCWDR5ALDH1A1
SCHEMBL1959210 0.72 MAOA (0.57) ERBB2MYCWDR5MAOAMAOB

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-20200157088-A1 BENZENE FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2020-05-21 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-20200157088-A1 BENZENE FUSED HETEROCYCLIC COMPOUND AND USE THEREOF NR2C2, NR0B2, NR0B1 ERBB2 422/4885MCL1 3476/4885KDM5A 3531/4885

“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.