SCHEMBL17061682

SCHEMBL17061682

CN1CCN(c2cnccc2C(N)=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CDC7 O00311 1/20 0.48
CDK9 P50750 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SIRT3 Q9NTG7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHEK1 O14757 1/20 0.44
NPC1 O15118 1/20 0.43
LATS1 O95835 1/20 0.42
BCL2A1 Q16548 1/20 0.41
SYK P43405 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CSF1R P07333 1/20 0.40
RPS6KB1 P23443 1/20 0.40
ATR Q13535 2/20 0.40
PARP1 P09874 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
SCHEMBL31005773 0.88 CYP3A4 (0.52) CYP3A4CDC7CDK9KDM4EALDH1A1
SCHEMBL4309528 0.86 CDC7 (0.62) CDC7CDK9KDM4EALDH1A1HSD17B10
SCHEMBL3554851 0.82 CDC7 (0.48) CYP3A4CDC7CDK9KDM4ESIRT3
SCHEMBL29534523 0.81 KIF18A (0.47) CYP3A4CDC7CDK9SIRT3TDP1
SCHEMBL29403120 0.81 KIF18A (0.47) CYP3A4CDC7CDK9SIRT3TDP1
SCHEMBL3081421 0.78 NPC1 (0.70) KDM4EALDH1A1HSD17B10NPC1POLB
SCHEMBL28711057 0.77 SIRT3 (0.49) CYP3A4KDM4EALDH1A1HSD17B10SIRT3
SCHEMBL18228362 0.77 CYP3A4 (0.54) CYP3A4LATS1BCL2A1POLBKMT2A
SCHEMBL28030748 0.76 KDM4E (0.46) CYP3A4KDM4EALDH1A1HSD17B10CHEK1
SCHEMBL28030745 0.76 CYP3A4 (0.42) CYP3A4CDC7CDK9KDM4EALDH1A1

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-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORP (TW) 2015-09-10 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-20150250794-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 CYP3A4 3983/4885CDC7 28/4885CDK9 1483/4885

“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.