SCHEMBL20249178

SCHEMBL20249178

CC(C)(C)c1ccc(CCC(N)=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
P4HTM Q9NXG6 1/20 0.41
PRMT1 Q99873 1/20 0.40
CCR9 P51686 3/20 0.40
CAPN1 P07384 1/20 0.40
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
KLF5 Q13887 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 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
SCHEMBL15215450 0.85 P4HTM (0.58) ALDH1A1LMNAP4HTMCCR9L3MBTL1
SCHEMBL12040428 0.85 CA2 (0.46) P4HTMCCR9CA2
SCHEMBL27654168 0.84 DAO (0.48) ALDH1A1LMNAP4HTMPRMT1CAPN1
SCHEMBL20249177 0.81 P4HTM (0.40) ALDH1A1LMNAP4HTMCCR9GPBAR1
SCHEMBL20249198 0.79 HSD17B10 (0.49) ALDH1A1LMNAP4HTMCCR9SMN1; SMN2
SCHEMBL20249179 0.79 RECQL (0.50) ALDH1A1LMNACCR9SMN1; SMN2MAPT
SCHEMBL5709790 0.78 TSHR (0.54) ALDH1A1LMNAP4HTMCAPN1SMN1; SMN2
SCHEMBL5050010 0.78 TAAR1 (0.47) ALDH1A1CCR9TP53KDM4ECYP1A2
SCHEMBL15799967 0.78 TKT (0.42) ALDH1A1LMNACCR9KDM4EMEN1
SCHEMBL4853179 0.76 PLAAT3 (0.47) ALDH1A1LMNAP4HTMKDM4EMEN1

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 944/4885LMNA 3947/4885P4HTM 1997/4885

“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.