SCHEMBL21390791

SCHEMBL21390791

Oc1cc(-c2ccccc2)cc(-c2ccccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 8/20 0.46
LMNA P02545 6/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44

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
SCHEMBL12068185 0.90 KDM4E (0.56) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL21988548 0.90 KDM4E (0.56) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL31400233 0.90 KDM4E (0.56) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL6067871 0.88 KDM4E (0.54) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL27433221 0.87 ABL1 (0.50) EGFRCYP2A6KDM4ELMNACCR1
Hydrochloric Acid SCHEMBL6068087 0.86 KDM4E (0.52) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL14425847 0.85 KDM4E (0.50) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL14425848 0.85 KDM4E (0.50) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL14425850 0.85 KDM4E (0.50) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL14425857 0.85 KDM4E (0.50) CYP2A6KDM4ELMNACCR1CCR5

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 EGFR 2569/4885CYP2A6 4659/4885KDM4E 3870/4885
US-11917903-B2 Metal complexes NCLN, BICRA, AP3M1 EGFR 2569/4885CYP2A6 4659/4885KDM4E 3870/4885

“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.