SCHEMBL20249347

SCHEMBL20249347

CC(C)(C)c1ccc(N2CCC(CO)C2)nn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
PDE10A Q9Y233 10/20 0.40
MAP4K4 O95819 1/20 0.39
SYK P43405 2/20 0.38
HRH4 Q9H3N8 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL20249344 0.88 KMT2A (0.36) PDE10AMAP4K4SYK
SCHEMBL18291297 0.82 PTGER4 (0.46) PTGER4PDE10AMAP4K4
SCHEMBL20249165 0.81 TRPV1 (0.42) HRH4
SCHEMBL20249356 0.81 TRPV1 (0.42) HRH4
SCHEMBL20249359 0.81 TRPV1 (0.42) HRH4
SCHEMBL24621818 0.79 DGAT1 (0.35) HRH4
SCHEMBL20249464 0.78 LMNA (0.43) CYP3A4
SCHEMBL20038256 0.78 MAP4K4 (0.41) PTGER4PDE10AMAP4K4
SCHEMBL31200657 0.78 LMNA (0.55) PDE10AMAP4K4
SCHEMBL20249147 0.78 LMNA (0.40) PTGER4

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 PTGER4 2777/4885PDE10A 1912/4885MAP4K4 191/4885

“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.