SCHEMBL20249385

SCHEMBL20249385

Cc1nc(C(C)(C)C)ccc1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.47
HTR2B P41595 3/20 0.47
ADRB2 P07550 3/20 0.47
ADRA2A P08913 1/20 0.47
HTR2C P28335 1/20 0.47
AXL P30530 1/20 0.47
HRH1 P35367 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
HTR1A P08908 5/20 0.47
HTR7 P34969 3/20 0.47
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
HTR5A P47898 1/20 0.47
ADRB1 P08588 4/20 0.46
NCF1 P14598 1/20 0.43
HTR3A P46098 5/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3D Q70Z44 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
SCHEMBL20249187 0.84 HTR6 (0.45) HTR6HTR2BADRB2ADRA2AHTR2C
SCHEMBL2366124 0.81 ADRB1 (0.50) HTR6HTR2BADRB2HTR2CHRH1
SCHEMBL21815399 0.78 CHRNB2 (0.47) HTR6HTR2BADRB2HTR1AHTR7
SCHEMBL20037462 0.78 ADRB1 (0.47) HTR6HTR2BADRB2HTR2CHTR1A
SCHEMBL18291344 0.78 NCF1 (0.48) HTR6HTR2BADRB2HTR2CHTR1A
SCHEMBL20249449 0.76 SOS1 (0.34) HTR6HTR2BADRB2ADRA2AHTR2C
SCHEMBL21414484 0.75 ADRB1 (0.45) HTR6HTR2BADRB2HTR2CHTR1A
SCHEMBL20203439 0.75 ADRB1 (0.45) HTR6HTR2BADRB2HTR1AHTR7
SCHEMBL27841113 0.75 MAPT (0.46) HTR6HTR7ADRB1HTR3AHTR3E
SCHEMBL29215308 0.74 ADRB1 (0.44) HTR6HTR2BADRB2ADRA2AHTR2C

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 1 patent. 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

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 HTR6 476/4885HTR2B 3035/4885ADRB2 3638/4885

“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.