SCHEMBL20249206

SCHEMBL20249206

CC(=O)NCCCc1ccc(C(C)(C)C)nc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
ACACB O00763 2/20 0.43
KDM4E B2RXH2 1/20 0.43
F13A1 P00488 1/20 0.43
ESRRG P62508 1/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL20037449 0.91 KDM4E (0.53) MTNR1AMTNR1BACACBKDM4EF13A1
SCHEMBL20249197 0.82 KMT2A (0.47) KDM4EPOLBL3MBTL1
SCHEMBL6788708 0.81 MTNR1A (0.49) MTNR1AMTNR1BACACBKDM4EF13A1
SCHEMBL20037794 0.79 MTNR1A (0.48) MTNR1AMTNR1BACACBKDM4EF13A1
SCHEMBL18291730 0.79 NAMPT (0.50) MTNR1AMTNR1BACACBKDM4EF13A1
SCHEMBL20249198 0.78 HSD17B10 (0.49) KDM4EL3MBTL1
SCHEMBL20249202 0.77 POLB (0.53) POLB
SCHEMBL20249204 0.77 CA2 (0.43) KDM4EPOLBL3MBTL1
SCHEMBL20249185 0.75 CA2 (0.45) KDM4EPOLBL3MBTL1
SCHEMBL10262595 0.75 NFKB1 (0.51) KDM4EPOLBL3MBTL1

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
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 MTNR1A 2004/4885MTNR1B 1627/4885ACACB 4306/4885

“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.