SCHEMBL21390796

SCHEMBL21390796

c1ccc(Nc2cccc(-c3ccccc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
RAB9A P51151 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
KDM4E B2RXH2 1/20 0.69
ALPG P10696 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
IRAK4 Q9NWZ3 1/20 0.53
CNR1 P21554 1/20 0.49
ASIC3 Q9UHC3 1/20 0.48
NPC1 O15118 2/20 0.47
ATM Q13315 2/20 0.47
CHEK1 O14757 1/20 0.47
IKBKB O14920 1/20 0.47
AURKA O14965 1/20 0.47
PDPK1 O15530 1/20 0.47
CHEK2 O96017 1/20 0.47
PRKCG P05129 1/20 0.47
CDK1 P06493 1/20 0.47
LYN P07948 1/20 0.47

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
SCHEMBL14234645 0.90 MEN1 (0.65) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL24075103 0.89 RAB9A (0.55) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL14234652 0.86 MEN1 (0.60) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL3759875 0.83 MAPT (1.00) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL15606480 0.82 CSNK2A2 (0.47) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL27112535 0.81 MAPT (0.59) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL21312137 0.79 MAPT (0.62) MAPTRAB9AMEN1KMT2AKDM4E
Biphenyl SCHEMBL27906737 0.78 RAB9A (0.56) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL22920888 0.78 MEN1 (0.46) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL5914189 0.78 MEN1 (0.60) RAB9AMEN1KMT2ATDP1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917903-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917903-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-20210111345-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2021-04-15 US disclosed
WO-2019179909-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-09-26 WO 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 (2 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-20210111345-A1 METAL COMPLEXES NCLN, BICRA, AP3M1 MAPT 1037/4885RAB9A 2627/4885MEN1 1112/4885
US-11917903-B2 Metal complexes NCLN, BICRA, AP3M1 MAPT 1037/4885RAB9A 2627/4885MEN1 1112/4885

“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.