SCHEMBL2485756

SCHEMBL2485756

c1cnc2c(OCCCN3CCCC3)cccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 1/20 0.56
HRH3 Q9Y5N1 7/20 0.56
ADRA1A P35348 3/20 0.56
HRH1 P35367 3/20 0.56
ADRA1B P35368 3/20 0.56
KCNH2 Q12809 3/20 0.56
HTR2A P28223 2/20 0.56
HTR7 P34969 2/20 0.56
HTR6 P50406 2/20 0.56
MAPT P10636 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL1101056 0.99 HRH3 (0.58) TDP1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2483050 0.96 TDP1 (0.64) TDP1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2486394 0.94 HRH3 (0.64) TDP1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL10654773 0.93 RAB9A (0.56) TDP1RAB9ANPC1SMN1; SMN2ADRA1B
SCHEMBL1101107 0.91 RAB9A (0.55) TDP1RAB9ANPC1SMN1; SMN2HRH3
SCHEMBL1101138 0.88 KDM4E (0.58) RAB9ANPC1SMN1; SMN2MAPTCYP2D6
SCHEMBL2486100 0.88 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HTR2AMAPT
SCHEMBL1101273 0.85 OPRM1 (0.52) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL9826331 0.84 DRD3 (0.70) RAB9ANPC1HRH3HRH1KCNH2
SCHEMBL2481096 0.84 KDM4E (0.53) TDP1RAB9ANPC1SMN1; SMN2ALDH1A1

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 TDP1 471/4885RAB9A 2802/4885NPC1 1789/4885

“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.