SCHEMBL17889356

SCHEMBL17889356

CC1CN(c2cccc3c2ccn3C)CCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
HTR6 P50406 9/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KHK P50053 2/20 0.39
BRPF1 P55201 2/20 0.37
BRD4 O60885 1/20 0.37
MMP2 P08253 1/20 0.37
DRD2 P14416 2/20 0.36
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
NCF1 P14598 1/20 0.35

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
SCHEMBL6624681 0.83 HTR2C (0.38) HTR2CHTR6ALDH1A1LMNAKHK
SCHEMBL30610357 0.81 HTR6 (0.56) HTR6ALDH1A1LMNADRD2HTR1A
SCHEMBL5374711 0.81 HTR6 (0.56) HTR6ALDH1A1LMNADRD2HTR1A
SCHEMBL17889308 0.80 KHK (0.40) HTR2CHTR6ALDH1A1LMNAKHK
SCHEMBL4247868 0.77 HTR6 (0.61) HTR2CHTR6ALDH1A1LMNAKHK
SCHEMBL4244446 0.77 HTR6 (0.61) HTR2CHTR6ALDH1A1LMNAKHK
SCHEMBL4244450 0.77 HTR6 (0.61) HTR2CHTR6ALDH1A1LMNAKHK
SCHEMBL4313472 0.75 HTR6 (0.59) HTR6DRD2HTR1AHTR2A
SCHEMBL4310052 0.75 HTR6 (0.57) HTR2CHTR6DRD2HTR1AHTR2A
SCHEMBL6812356 0.74 ALDH1A1 (0.49) HTR2CHTR6ALDH1A1LMNAKHK

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 HTR2C 3783/4885HTR6 3275/4885ALDH1A1 454/4885

“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.