SCHEMBL20249359

SCHEMBL20249359

CC(C)(C)c1ccc(N2CC[C@@H](O)C2)nn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
HRH4 Q9H3N8 2/20 0.39
CNR2 P34972 4/20 0.38
METAP2 P50579 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
LCAT P04180 3/20 0.36
CDK4 P11802 3/20 0.36
PRKDC P78527 1/20 0.36
CDK6 Q00534 1/20 0.36

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
SCHEMBL20249165 1.00 TRPV1 (0.42) TRPV1HRH4CNR2METAP2CHRNB2
SCHEMBL20249356 1.00 TRPV1 (0.42) TRPV1HRH4CNR2METAP2CHRNB2
SCHEMBL20249293 0.91 SMPD3 (0.42) TRPV1CDK4CDK6
SCHEMBL20249149 0.91 SMPD3 (0.42) TRPV1CDK4CDK6
SCHEMBL20249302 0.91 SMPD3 (0.42) TRPV1CDK4CDK6
SCHEMBL20249147 0.91 LMNA (0.40) TRPV1LCAT
SCHEMBL20249350 0.87 KMT2A (0.38) TRPV1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20249327 0.83 HRH4 (0.39) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20249322 0.83 HRH4 (0.39) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20249347 0.81 PTGER4 (0.40) HRH4

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
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 TRPV1 3672/4885HRH4 1763/4885CNR2 2055/4885

“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.