SCHEMBL2822698

SCHEMBL2822698

NC1CCN(CC2Cc3c(F)ccc4ncc(=O)n2c34)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.37
KCNH2 Q12809 2/20 0.35
FKBP1A P62942 1/20 0.35
FKBP1B P68106 1/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
TOP2A P11388 1/20 0.33
SSTR2 P30874 2/20 0.32

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
SCHEMBL4203330 0.91 KCNH2 (0.36) MTORKCNH2FKBP1AFKBP1BPRKDC
SCHEMBL4212847 0.82 KDM1A (0.32) KCNH2
SCHEMBL3612945 0.82 KCNH2 (0.36) MTORKCNH2FKBP1AFKBP1BPRKDC
Hydrochloric Acid SCHEMBL4367609 0.81 KDM1A (0.32)
SCHEMBL2821376 0.80 MTOR (0.35) MTORKCNH2
SCHEMBL2821119 0.76 KCNH2 (0.64) KCNH2TOP2A
Hydrochloric Acid SCHEMBL3607827 0.76 KCNH2 (0.38) MTORKCNH2FKBP1AFKBP1BPRKDC
Hydrochloric Acid SCHEMBL3611488 0.76 KCNH2 (0.38) MTORKCNH2FKBP1AFKBP1BPRKDC
Hydrochloric Acid SCHEMBL3611995 0.76 KCNH2 (0.37) MTORKCNH2FKBP1AFKBP1BPRKDC
SCHEMBL3611984 0.75 TOP2A (0.35) MTORKCNH2FKBP1AFKBP1BPRKDC

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-2041145-B1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2010-01-07 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-20100004230-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE AADAC, AZI2, NNMT MTOR 205/4885KCNH2 2592/4885FKBP1A 1719/4885

“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.