SCHEMBL20037519

SCHEMBL20037519

CC(C)C(=O)N1CCN(c2ccc(I)nn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
OGA O60502 1/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MET P08581 1/20 0.44
PANK3 Q9H999 5/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
SMO Q99835 1/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BPTF Q12830 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
SCHEMBL20037518 0.83 BPTF (0.56) MAP4K4OGAALDH1A1SMOMAPT
SCHEMBL20037531 0.82 PANK3 (0.46) OGAPANK3
SCHEMBL3827722 0.81 KDM4E (0.43) OGASMN1; SMN2PANK3ALDH1A1LMNA
SCHEMBL20249439 0.80 TRPV1 (0.49) MAP4K4TSHRSMN1; SMN2METPANK3
SCHEMBL20255261 0.79 L3MBTL1 (0.49) OGATSHRSMN1; SMN2PANK3ALDH1A1
SCHEMBL20255262 0.76 OGA (0.58) OGAALDH1A1MAPT
SCHEMBL20037669 0.76 PANK3 (0.48) PANK3ALDH1A1SMOMAPT
SCHEMBL16427561 0.76 GPR119 (0.57) MAP4K4ALDH1A1LMNAMAPT
SCHEMBL3828458 0.74 ALDH1A1 (0.52) TSHRSMN1; SMN2METALDH1A1LMNA
SCHEMBL11527143 0.74 HTR3A (0.56) OGAALDH1A1NPC1

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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP 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 MAP4K4 191/4885OGA 4627/4885TSHR 2977/4885

“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.