SCHEMBL20037501

SCHEMBL20037501

CN1CCN(c2ccc(I)nc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
HTR3A P46098 3/20 0.49
GAA P10253 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ADRA2C P18825 2/20 0.48
PTK2B Q14289 2/20 0.48
GFER P55789 1/20 0.48
ESR2 Q92731 1/20 0.48
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRA2A P08913 1/20 0.43

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
SCHEMBL20038101 0.81 MAPT (0.53) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL82236 0.79 MAPT (0.50) MAPTHTR3AGAAKMT2AMEN1
SCHEMBL20037559 0.78 GAA (0.43) MAPTGAAKMT2AMEN1
SCHEMBL29664444 0.78 MAPT (0.58) MAPTHTR3AGAAKMT2AMEN1
SCHEMBL18256503 0.78 POLB (0.55) MAPTGAAKMT2AMEN1KDM4E
SCHEMBL5199765 0.78 CHRNB2 (0.64) MAPTHTR3AGAAKMT2AMEN1
SCHEMBL30825976 0.78 MAPT (0.49) MAPTHTR3AGAAKMT2AMEN1
SCHEMBL521324 0.78 MAPT (0.58) MAPTHTR3AGAAKMT2AMEN1
SCHEMBL30786198 0.78 CHRNB2 (0.64) MAPTHTR3AGAAKMT2AMEN1
SCHEMBL18101491 0.78 CHRNB2 (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C

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
EP-3689871-B1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-09-29 EP disclosed
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 MAPT 2551/4885HTR3A 2802/4885GAA 2747/4885

“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.