SCHEMBL4790041

SCHEMBL4790041

C1=C(c2ccncc2)CNCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
HTR2A P28223 9/20 0.50
PKN2 Q16513 1/20 0.44
HTR2C P28335 5/20 0.42
HTR2B P41595 5/20 0.42
CHRM2 P08172 2/20 0.41
CHRM3 P20309 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NISCH Q9Y2I1 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
SCHEMBL14085320 0.79 LMNA (0.42) PKN2HTR2CLMNAMAPTNISCH
SCHEMBL4789087 0.79 ADRA2A (0.59) ADRA2AADRA2BHTR2AHTR2CHTR2B
SCHEMBL30269982 0.78 HTR2A (0.49) ADRA2AADRA2BHTR2AHTR2CHTR2B
SCHEMBL4790022 0.78 HTR2A (0.49) ADRA2AADRA2BHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL9252509 0.78 ADRA2A (0.58) ADRA2AADRA2BHTR2AHTR2CHTR2B
SCHEMBL8960144 0.76 ADRA2A (0.61) ADRA2AADRA2BHTR2AHTR2CHTR2B
SCHEMBL28369710 0.76 ADRA2A (0.47) ADRA2AADRA2BHTR2AHTR2CHTR2B
SCHEMBL29140051 0.76 ADRA2A (0.61) ADRA2AADRA2BHTR2AHTR2CHTR2B
SCHEMBL8960083 0.76 ADRA2A (0.61) ADRA2AADRA2BHTR2AHTR2CHTR2B
SCHEMBL8960049 0.76 ADRA2A (0.61) ADRA2AADRA2BHTR2AHTR2CHTR2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 CN disclosed
CN-110818683-A 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2020-02-21 CN disclosed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 ADRA2A 1504/4885ADRA2B 1119/4885HTR2A 421/4885

“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.