SCHEMBL20249305

SCHEMBL20249305

CC(C)(C)c1ccc(N2CCN(C(C)(C)C)CC2)nn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
OGA O60502 1/20 0.37
HRH4 Q9H3N8 3/20 0.36
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BPTF Q12830 3/20 0.34

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
SCHEMBL20249268 0.84 HRH4 (0.51) HRH4CYP1A2KDM4E
SCHEMBL16133059 0.84 CYP1A2 (0.52) CYP1A2
SCHEMBL20249360 0.83 TRPV1 (0.43) TRPV1HRH4KDM4ELMNAHSD17B10
SCHEMBL24622064 0.82 KDM2B (0.41)
SCHEMBL20249325 0.80 HRH3 (0.48) TRPV1OGAHRH4KDM4ELMNA
SCHEMBL18291262 0.79 CYP1A2 (0.36) TRPV1HRH4CYP1A2LMNABPTF
SCHEMBL15874637 0.79 CYP1A2 (0.61) TRPV1CYP1A2LMNABPTF
SCHEMBL16430192 0.79 OGA (0.45) TRPV1OGAHRH4CYP1A2KDM4E
SCHEMBL20249130 0.79 ALDH1A1 (0.51) KDM4ELMNAHSD17B10
SCHEMBL20249099 0.79 BPTF (0.57) HRH4CYP1A2KDM4EHSD17B10BPTF

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 3672/4885OGA 4627/4885HRH4 1763/4885

“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.