SCHEMBL20037529

SCHEMBL20037529

Cc1nc(I)ccc1N1CCNCC1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.35
F10 P00742 1/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
PRMT5 O14744 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
PIM1 P11309 2/20 0.32
MAP4K1 Q92918 1/20 0.32
WEE1 P30291 1/20 0.31
CXCR4 P61073 1/20 0.30

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
SCHEMBL20038317 0.85 RECQL (0.37) SOS1F10SLC6A2SLC6A4SLC6A3
SCHEMBL18291477 0.84 NOS2 (0.37) SOS1F10SLC6A2SLC6A4SLC6A3
SCHEMBL20249449 0.82 SOS1 (0.34) SOS1F10SLC6A2SLC6A4SLC6A3
SCHEMBL20203601 0.81 SOS1 (0.39) SOS1F10SLC6A2SLC6A4SLC6A3
SCHEMBL27207129 0.77 HTR7 (0.39) SOS1F10
SCHEMBL20037462 0.75 ADRB1 (0.47) SLC6A4
SCHEMBL20203588 0.73 SLC6A2 (0.41) SOS1SLC6A2SLC6A4SLC6A3TLR8
SCHEMBL8306364 0.72 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL20255219 0.72 PRMT5 (0.39) SLC6A2SLC6A4SLC6A3PRMT5TLR8
SCHEMBL8307179 0.72 HSD17B10 (0.44) SLC6A2SLC6A4SLC6A3

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 SOS1 1284/4885F10 3694/4885SLC6A2 2659/4885

“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.