SCHEMBL12499210

SCHEMBL12499210

N[C@@H]1CNC[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
KDM1A O60341 16/20 0.46
KDM1B Q8NB78 3/20 0.46
KCNH2 Q12809 2/20 0.46
MAOB P27338 1/20 0.44
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL16649443 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL20438928 0.85 KDM1A (0.51) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL12497812 0.85 KDM1A (0.42) KDM1AKDM1BKCNH2
SCHEMBL16649818 0.82 KDM1A (0.69) HTR2AKDM1AKDM1BKCNH2CHRNB2
SCHEMBL15286633 0.79 KDM1A (0.69) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL247873 0.79 KDM1A (0.69) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL2612405 0.79 KDM1A (0.69) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL3609223 0.79 KDM1A (0.69) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL15011508 0.79 KDM1A (0.69) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL15011361 0.79 KDM1A (0.69) HTR2AHTR2CHTR2BKDM1AKDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 US claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 US disclosed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP disclosed
EP-2681215-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-08 EP disclosed
US-20130338140-A1 SERINE/THREONINE KINASE INHIBITORS GENETECH, INC. (US) 2013-12-19 US disclosed
WO-2012118850-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 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 (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-20130338140-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 HTR2A 4300/4885HTR2C 4639/4885HTR2B 3947/4885

“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.