SCHEMBL16178307

SCHEMBL16178307

Cc1cc(N2CCNCC2)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.43
NCF1 P14598 4/20 0.41
ADRB2 P07550 2/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41
HTR6 P50406 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL17918652 0.81 ALDH1A1 (0.45) NCF1HSP90AA1KDM4EALDH1A1HRH4
SCHEMBL15272033 0.78 CHRNB2 (0.43) ADRB1NCF1ADRB2CHRNB2CHRNA4
SCHEMBL16446756 0.74 CYP1A2 (0.58) ADRB1NCF1HTR1AHTR7ALDH1A1
SCHEMBL22340241 0.72 KDM4E (0.44) KDM4EALDH1A1
SCHEMBL31466596 0.71 CASP1 (0.46) ADRB1NCF1CHRNB2CHRNA4CASP1
SCHEMBL7404229 0.69 ADRB1 (0.53) ADRB1NCF1ADRB2HTR5ACHRNB2
SCHEMBL1515373 0.69 CASP1 (0.58) ADRB1NCF1ADRB2CASP1CASP4
Hydrochloric Acid SCHEMBL8582022 0.68 CASP1 (0.56) ADRB1NCF1ADRB2CASP1CASP4
SCHEMBL28514291 0.67 KDM4E (0.46) ADRB1ADRB2HTR1AHTR1DHTR1B
SCHEMBL18434116 0.66 ADRB1 (0.42) ADRB1NCF1ADRB2HTR1AHTR1D

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-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 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-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 ADRB1 1401/4885NCF1 475/4885ADRB2 2283/4885

“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.