SCHEMBL20249199

SCHEMBL20249199

CC(C)(C)c1ccc(CCCN2CCCC2=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 2/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
PDK2 Q15119 2/20 0.39
ACACB O00763 1/20 0.39
TSHR P16473 2/20 0.39
MOGAT2 Q3SYC2 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ADRA1B P35368 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12228951 0.92 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9AKMT2APOLB
SCHEMBL20249210 0.84 L3MBTL1 (0.49) KMT2AMEN1NPC1ACACBL3MBTL1
SCHEMBL20037444 0.83 RAB9A (0.44) ALDH1A1KDM4ERAB9AKMT2AMEN1
SCHEMBL20249205 0.82 SIGMAR1 (0.41) KMT2APOLBPDK2TSHRMOGAT2
SCHEMBL20249189 0.81 PDK2 (0.47) ALDH1A1KDM4EKMT2APOLBTDP1
SCHEMBL18291622 0.81 RAB9A (0.41) ALDH1A1KDM4ERAB9AKMT2APOLB
SCHEMBL20037894 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9AKMT2AMEN1
SCHEMBL13946711 0.78 RAB9A (0.55) ALDH1A1RAB9AKMT2AMEN1NPC1
SCHEMBL20249194 0.78 PDK2 (0.49) KDM4ERAB9AKMT2APOLBMEN1
SCHEMBL16190278 0.75 ALDH1A1 (0.44) ALDH1A1KDM4ERAB9AKMT2AMEN1

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 ALDH1A1 944/4885KDM4E 470/4885RAB9A 2154/4885

“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.