SCHEMBL19224653

SCHEMBL19224653

CCOC(=O)c1nc(C#N)c(Cc2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CDC7 O00311 4/20 0.46
DBF4 Q9UBU7 4/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
RIPK1 Q13546 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
DGAT1 O75907 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
SCHEMBL19254989 0.88 ALDH1A1 (0.47) ALDH1A1KDM4ETRPM8RIPK1MEN1
SCHEMBL15537375 0.73 CDC7 (0.49) ALDH1A1HSD17B10KDM4ECDC7DBF4
SCHEMBL1249830 0.72 CDC7 (0.54) ALDH1A1HSD17B10KDM4ECDC7DBF4
SCHEMBL19224496 0.71 LMNA (0.50) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL19207884 0.71 KMT2A (0.52) ALDH1A1HSD17B10KDM4ECDC7DBF4
SCHEMBL3933156 0.71 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4ECDC7DBF4
SCHEMBL15537220 0.70 SMN1; SMN2 (0.45) ALDH1A1KDM4ECDC7DBF4TRPM8
SCHEMBL20477257 0.70 CDC7 (0.51) ALDH1A1HSD17B10KDM4ECDC7DBF4
SCHEMBL15487621 0.70 SLC26A6 (0.45) ALDH1A1KDM4ECDC7DBF4MEN1
SCHEMBL5119774 0.69 CDC7 (0.71) ALDH1A1KDM4ECDC7DBF4TRPM8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 US disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 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-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB ALDH1A1 4405/4885HSD17B10 2725/4885KDM4E 1466/4885

“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.