SCHEMBL20038095

SCHEMBL20038095

CN1CCCN(c2ccc(I)nn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.50
HTR3B O95264 3/20 0.50
HTR3A P46098 3/20 0.50
HTR3D Q70Z44 3/20 0.50
HTR3C Q8WXA8 3/20 0.50
OGA O60502 1/20 0.44
HRH4 Q9H3N8 3/20 0.42
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.41
THPO P40225 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
CHKA P35790 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL11527143 0.93 HTR3A (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25106007 0.84 CYP1A2 (0.57) OGACYP1A2ALDH1A1HPGD
SCHEMBL16134879 0.84 CYP1A2 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6350054 0.81 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6352737 0.80 CYP1A2 (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18291520 0.80 HRH4 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20249261 0.78 HRH4 (0.47) HRH4CYP1A2KDM4E
SCHEMBL4527814 0.75 HTR3A (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6351786 0.75 CHRNA7 (0.59) HTR3AHRH4KDM4EALDH1A1TSHR
SCHEMBL16430192 0.75 OGA (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 HTR3E 2380/4885HTR3B 2448/4885HTR3A 2802/4885

“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.