SCHEMBL3387435

SCHEMBL3387435

CN1CCN(C(=O)c2cccc(Nc3ncc(C4CC4)c(NCCC(N)=O)n3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.59
MAP3K7 O43318 3/20 0.58
IRAK4 Q9NWZ3 3/20 0.58
IGF1R P08069 1/20 0.57
CCNT1 O60563 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
CDK9 P50750 1/20 0.56
NTRK1 P04629 5/20 0.55
ULK1 O75385 4/20 0.49
ULK2 Q8IYT8 4/20 0.49
MARK3 P27448 1/20 0.49
MARK4 Q96L34 1/20 0.49
STK17A Q9UEE5 1/20 0.49
PDPK1 O15530 1/20 0.47
PTK2 Q05397 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
BMPR2 Q13873 1/20 0.47

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
SCHEMBL3385940 0.93 MAP3K7 (0.65) TBK1MAP3K7IRAK4CCNT1CCNE1
SCHEMBL3388281 0.90 MAP3K7 (0.56) TBK1MAP3K7IRAK4CDK2NTRK1
SCHEMBL3384805 0.90 MAP3K7 (0.56) TBK1MAP3K7IRAK4IGF1RCCNT1
SCHEMBL3387443 0.90 TBK1 (0.63) TBK1MAP3K7IRAK4IGF1RCCNT1
SCHEMBL3383911 0.90 TBK1 (0.71) TBK1MAP3K7IRAK4IGF1RCCNT1
SCHEMBL3384234 0.90 NTRK1 (0.59) TBK1MAP3K7IRAK4IGF1RCCNT1
SCHEMBL3387230 0.87 IGF1R (0.52) TBK1IGF1RNTRK1ULK1ULK2
SCHEMBL3388970 0.87 NTRK1 (0.54) TBK1MAP3K7IRAK4IGF1RNTRK1
SCHEMBL3386206 0.87 NTRK1 (0.54) TBK1MAP3K7IRAK4IGF1RNTRK1
SCHEMBL3389178 0.87 TBK1 (0.59) TBK1CDK2NTRK1ULK1ULK2

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-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 TBK1 2898/4885MAP3K7 310/4885IRAK4 1138/4885

“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.