SCHEMBL20255261

SCHEMBL20255261

COC(=O)N1CCN(c2ccc(I)nn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
PANK3 Q9H999 2/20 0.44
BPTF Q12830 1/20 0.43
MEN1 O00255 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMO Q99835 2/20 0.41
HIF1A Q16665 1/20 0.41
OGA O60502 1/20 0.41

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
SCHEMBL16427561 0.85 GPR119 (0.57) MAPTALDH1A1GPR119
SCHEMBL20037531 0.85 PANK3 (0.46) HRH3PANK3GPR119OGA
SCHEMBL20037518 0.83 BPTF (0.56) L3MBTL1MAPTALDH1A1KMT2ARAB9A
SCHEMBL3827722 0.81 KDM4E (0.43) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL3301419 0.80 CKS1B (0.54) MAPTALDH1A1KMT2AMEN1GPR119
SCHEMBL20249435 0.80 TRPV1 (0.49) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL20037519 0.79 MAP4K4 (0.49) MAPTALDH1A1SMN1; SMN2RAB9ATSHR
SCHEMBL13390939 0.77 SMO (0.46) L3MBTL1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL20037669 0.76 PANK3 (0.48) L3MBTL1MAPTALDH1A1HSD17B10PANK3
SCHEMBL3828458 0.74 ALDH1A1 (0.52) MAPTALDH1A1KMT2ASMN1; SMN2HSD17B10

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 L3MBTL1 3990/4885MAPT 2551/4885ALDH1A1 944/4885

“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.