SCHEMBL2486394

SCHEMBL2486394

c1cnc2c(OCCCCN3CCCCC3)cccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.64
HTR2A P28223 2/20 0.64
HTR7 P34969 2/20 0.64
HTR6 P50406 2/20 0.64
TDP1 Q9NUW8 1/20 0.63
ADRA1A P35348 3/20 0.55
HRH1 P35367 3/20 0.55
ADRA1B P35368 3/20 0.55
KCNH2 Q12809 3/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP2C19 P33261 2/20 0.55
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL2483050 0.99 TDP1 (0.64) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL1101056 0.96 HRH3 (0.58) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL2485756 0.94 TDP1 (0.58) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL1101107 0.92 RAB9A (0.55) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL10654773 0.90 RAB9A (0.56) HTR7TDP1ADRA1BRAB9ANPC1
SCHEMBL2481096 0.87 KDM4E (0.53) TDP1ALDH1A1CYP2D6RAB9ANPC1
SCHEMBL9826692 0.86 DRD2 (0.55) HRH3HTR2AHTR7HTR6ADRA1A
SCHEMBL1101138 0.83 KDM4E (0.58) CYP1A2CYP2D6CYP2C19RAB9ANPC1
SCHEMBL2486100 0.83 RAB9A (0.52) HTR2ARAB9ANPC1MEN1KMT2A
SCHEMBL1101273 0.81 OPRM1 (0.52) RAB9ANPC1MEN1KMT2AKDM4E

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
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 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-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK HRH3 2012/4885HTR2A 3374/4885HTR7 3804/4885

“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.