SCHEMBL20037650

SCHEMBL20037650

CC(C)(C)c1ccc(OCC(=O)N2CCNCC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.60
TPSD1 Q9BZJ3 1/20 0.60
TPSG1 Q9NRR2 1/20 0.60
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SCN7A Q01118 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 3/20 0.43
QPCT Q16769 1/20 0.43
FKBP1A P62942 3/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL20038153 0.83 TPSAB1 (0.64) TPSAB1TPSD1TPSG1HTTALDH1A1
SCHEMBL28371857 0.82 RAB9A (0.47) TPSAB1TPSD1TPSG1HTTSCN7A
SCHEMBL20249273 0.81 PANK3 (0.45) TPSAB1TPSD1TPSG1KMT2AMEN1
SCHEMBL20038188 0.81 TPSAB1 (0.64) TPSAB1TPSD1TPSG1SCN7AKCNH2
SCHEMBL18291283 0.80 TPSAB1 (0.60) TPSAB1TPSD1TPSG1SCN7AKCNH2
SCHEMBL27956550 0.80 TPSAB1 (0.76) TPSAB1TPSD1TPSG1HTTALDH1A1
SCHEMBL20255382 0.78 TPSAB1 (0.43) TPSAB1TPSD1TPSG1TSHRTDP1
SCHEMBL654109 0.77 TPSAB1 (0.76) TPSAB1TPSD1TPSG1ALDH1A1KMT2A
SCHEMBL656573 0.76 TPSAB1 (0.78) TPSAB1TPSD1TPSG1ALDH1A1KMT2A
SCHEMBL3787327 0.75 SMN1; SMN2 (0.60) TSHRALDH1A1KMT2AMEN1SMN1; SMN2

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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP 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 TPSAB1 3489/4885TPSD1 2373/4885TPSG1 4128/4885

“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.