SCHEMBL20249155

SCHEMBL20249155

CC(C)(C)c1ccc(CN2CCC(C(=O)O)C2)cn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 11/20 0.54
S1PR1 P21453 3/20 0.54
S1PR4 O95977 2/20 0.54
S1PR3 Q99500 1/20 0.54
CD274 Q9NZQ7 2/20 0.48
PDCD1 Q15116 1/20 0.48
KMT2A Q03164 1/20 0.46
LTA4H P09960 3/20 0.45
CCR9 P51686 1/20 0.44

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
SCHEMBL20249111 0.93 S1PR5 (0.51) S1PR5S1PR1S1PR4S1PR3KMT2A
SCHEMBL20249113 0.84 ALDH1A1 (0.53) KMT2ALTA4H
SCHEMBL18291640 0.84 S1PR5 (0.57) S1PR5S1PR1S1PR4S1PR3CD274
SCHEMBL20249418 0.82 ALDH1A1 (0.47) CD274PDCD1KMT2ALTA4H
SCHEMBL20249158 0.82 ALDH1A1 (0.47) CD274PDCD1KMT2ALTA4H
SCHEMBL20255310 0.82 LTA4H (0.48) KMT2ALTA4H
SCHEMBL20255437 0.81 S1PR5 (0.54) S1PR5S1PR1S1PR4S1PR3CD274
SCHEMBL20037434 0.81 S1PR5 (0.54) S1PR5S1PR1S1PR4S1PR3CD274
SCHEMBL20249161 0.81 HRH3 (0.45) KMT2ALTA4HCCR9
SCHEMBL15942972 0.81 S1PR5 (0.63) S1PR5S1PR1S1PR4S1PR3KMT2A

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 S1PR5 2141/4885S1PR1 2509/4885S1PR4 2204/4885

“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.