SCHEMBL20249488

SCHEMBL20249488

CC(C)(C)c1ccc(N2CCN(C(=O)CO)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.50
GPR119 Q8TDV5 2/20 0.44
MAPT P10636 4/20 0.42
ALK Q9UM73 2/20 0.42
ME2 P23368 2/20 0.41
ME1 P48163 2/20 0.41
ME3 Q16798 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TP53 P04637 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
CDK2 P24941 1/20 0.40

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
SCHEMBL16437223 0.85 CASP6 (0.53) GPR119MAPTALKMAPK1ALDH1A1
SCHEMBL20037657 0.82 AKR1C3 (0.54) AKR1C3MAPTALKME2ME1
SCHEMBL22388849 0.80 GPR119 (0.62) GPR119MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL20249414 0.79 ATM (0.51) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL2401224 0.79 AKR1C3 (0.54) AKR1C3MAPTALKME2ME1
SCHEMBL20038525 0.79 AKR1C3 (0.54) AKR1C3MAPTALKME2ME1
SCHEMBL20249105 0.78 GAA (0.46) MAPTALDH1A1LMNAHRH3PPARD
SCHEMBL6912438 0.77 MAPT (0.62) AKR1C3MAPTALDH1A1HTTLMNA
SCHEMBL20249362 0.77 TRPV1 (0.46) AKR1C3GPR119MAPTME2ME1
SCHEMBL14924441 0.76 AKR1C3 (0.65) AKR1C3MAPTALDH1A1HTTLMNA

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 AKR1C3 2289/4885GPR119 2218/4885MAPT 2551/4885

“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.