SCHEMBL3751753

SCHEMBL3751753

O=[C]N(Cc1ccccc1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
TSHR P16473 2/20 0.53
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
OPRK1 P41145 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL9343532 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRCHRM2ADRA2A
SCHEMBL1185718 0.79 CYP2D6 (0.44) ALDH1A1SMN1; SMN2TSHRCHRM2ADRA2A
SCHEMBL8191765 0.76 CYP2D6 (0.46) ALDH1A1SMN1; SMN2TSHRCHRM2ADRA2A
SCHEMBL5609247 0.76 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRCHRM2ADRA2A
SCHEMBL28590382 0.76 CHRM2 (0.72) ALDH1A1SMN1; SMN2TSHRCHRM2ADRA2A
SCHEMBL6669910 0.75 CYP2D6 (0.38) ALDH1A1SMN1; SMN2TSHRCHRM2ADRA2A
SCHEMBL305633 0.74 TSHR (0.45) ALDH1A1SMN1; SMN2TSHRLMNATRPM8
SCHEMBL8191617 0.73 CYP2D6 (0.44) ALDH1A1SMN1; SMN2TSHRCHRM2ADRA2A
SCHEMBL14993884 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRCHRM2ADRA2A
SCHEMBL10806145 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRCHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA ALDH1A1 3061/4885SMN1; SMN2 1864/4885TSHR 1753/4885

“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.