SCHEMBL17889486

SCHEMBL17889486

Cc1nc2c(N3CCNCC3C)cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.42
HTR1A P08908 1/20 0.41
LATS1 O95835 1/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 2/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
HTR2A P28223 1/20 0.38
DRD2 P14416 1/20 0.38
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
PARP1 P09874 1/20 0.38
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
GSK3B P49841 1/20 0.36

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
SCHEMBL6637856 0.78 HTR6 (0.64) HTR6HTR1AHTR2CHTR2ADRD2
SCHEMBL4144034 0.76 HTR2C (0.59) LATS1HTR2CHTR2BROCK2ROCK1
SCHEMBL22302991 0.74 ADRB1 (0.57) HTR1ALATS1HTR2CHTR2BHTR2A
SCHEMBL2877578 0.73 ADRB1 (0.54) HTR6HTR1ALATS1HTR2CHTR2B
SCHEMBL21268736 0.73 ADRB1 (0.54) HTR6HTR1ALATS1HTR2CHTR2B
SCHEMBL2877579 0.73 ADRB1 (0.54) HTR6HTR1ALATS1HTR2CHTR2B
SCHEMBL4178912 0.72 LATS1 (0.47) HTR1ALATS1HTR2CHTR2BPIM1
SCHEMBL5632443 0.71 HTR2C (0.48) HTR2CHTR2BHTR2ADRD2
SCHEMBL5632689 0.71 HTR2C (0.48) HTR2CHTR2BHTR2ADRD2
SCHEMBL5632448 0.71 HTR2C (0.48) HTR2CHTR2BHTR2ADRD2

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
US-RE48622-E1 Therapeutically active pyrazolo-pyrimidine derivatives UCB Biopharma SRL (BE) 2021-07-06 US disclosed
US-9714248-B2 Therapeutically active pyrazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2017-07-25 US disclosed
US-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2016-07-07 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-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives HAVCR2, TPMT, NFATC1 HTR6 3275/4885HTR1A 3356/4885LATS1 818/4885

“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.