SCHEMBL16940824

SCHEMBL16940824

COc1ccc(-n2c(NCC#N)nc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.47
RPS6KB1 P23443 1/20 0.46
ROCK1 Q13464 1/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
GFER P55789 1/20 0.45
MAPK1 P28482 1/20 0.45
PKM P14618 1/20 0.45
MCHR1 Q99705 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL11898237 0.79 LMNA (0.64) TP53LMNANPC1RAB9AMAPT
SCHEMBL15426115 0.77 ALDH1A1 (0.72) TP53LMNARAB9ATSHRALDH1A1
SCHEMBL541002 0.74 HTT (0.70) TP53LMNANPC1RAB9ATSHR
SCHEMBL28806937 0.74 TP53 (0.57) TP53LMNANPC1RAB9AALDH1A1
SCHEMBL10353247 0.73 RPS6KB1 (0.54) TP53LMNANPC1RAB9ATSHR
SCHEMBL4096979 0.73 RPS6KB1 (0.54) TP53LMNANPC1RAB9ATSHR
SCHEMBL10894564 0.72 RAB9A (0.51) TP53LMNANPC1RAB9ATSHR
SCHEMBL23043546 0.72 TSHR (0.51) TP53NPC1RAB9ATSHRALDH1A1
SCHEMBL6912346 0.72 ALDH1A1 (0.67) TP53LMNANPC1RAB9ATSHR
SCHEMBL7593020 0.71 TP53 (0.67) TP53LMNANPC1RAB9AALDH1A1

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-9789111-B2 Casein kinase 1δ (CK 1δ) inhibitors ELECTROPHORETICS LIMITED (GB) 2017-10-17 US disclosed
US-9789111-B2 Casein kinase 1δ (CK 1δ) inhibitors ELECTROPHORETICS LIMITED (GB) 2017-10-17 US disclosed
US-20150209368-A1 CASEIN KINASE 1DELTA (CK 1DELTA) INHIBITORS ELECTROPHORETICS LIMITED (GB) 2015-07-30 US disclosed
US-20150209368-A1 CASEIN KINASE 1DELTA (CK 1DELTA) INHIBITORS ELECTROPHORETICS LIMITED (GB) 2015-07-30 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-20150209368-A1 CASEIN KINASE 1DELTA (CK 1DELTA) INHIBITORS CSNK1A1, CSNK1G1, CSNK1D TP53 2030/4885LMNA 1197/4885NPC1 934/4885

“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.