SCHEMBL1682251

SCHEMBL1682251

Cc1c(F)cccc1OCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
HTR1B P28222 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 2/20 0.40
GRM2 Q14416 2/20 0.39
TTR P02766 1/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ALOX15 P16050 1/20 0.37
ACHE P22303 1/20 0.37

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
Hydrochloric Acid SCHEMBL1290810 0.98 KDM4E (0.59) KDM4EHTR1BL3MBTL1MAPK1TDP1
SCHEMBL13696500 0.85 L3MBTL1 (0.49) KDM4EHTR1BL3MBTL1MAPK1TDP1
SCHEMBL13696458 0.83 L3MBTL1 (0.47) KDM4EHTR1BL3MBTL1MAPK1TDP1
SCHEMBL13696485 0.83 L3MBTL1 (0.51) HTR1BL3MBTL1TDP1GRM2TTR
SCHEMBL7415579 0.82 HTR1B (0.62) KDM4EHTR1BMAPK1TP53RAB9A
SCHEMBL22298438 0.82 KDM4E (0.47) KDM4EHTR1BL3MBTL1MAPK1TDP1
SCHEMBL28290827 0.81 KDM4E (0.55) KDM4EHTR1BL3MBTL1MAPK1TDP1
SCHEMBL13696466 0.80 L3MBTL1 (0.41) KDM4EHTR1BL3MBTL1MAPK1TDP1
SCHEMBL23112144 0.80 KDM4E (0.59) KDM4EHTR1BL3MBTL1MAPK1TDP1
SCHEMBL13696415 0.80 L3MBTL1 (0.56) KDM4EL3MBTL1MAPK1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012045729-A1 IMIDAZO [1, 2 -A] PYRIDINE AND PYRAZOLO [1, 5 -A] PYRIDINE DERIVATIVES AS TRPV1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-12 WO disclosed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP 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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 KDM4E 3600/4885HTR1B 82/4885L3MBTL1 4477/4885

“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.