SCHEMBL20028166

SCHEMBL20028166

CCOC(=O)c1cn(C)nc1Cn1ncc2cnccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
ELANE P08246 2/20 0.40
DCTPP1 Q9H773 1/20 0.39
EGFR P00533 5/20 0.39
ERBB2 P04626 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CLK1 P49759 1/20 0.39
UBE2N P61088 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CSNK1D P48730 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL20028162 0.72 CAPN1 (0.49)
SCHEMBL12491190 0.71 TSHR (0.47) NPC1ALDH1A1MAPK1HPGDHSD17B10
SCHEMBL31053360 0.70 TSHR (0.46) NPC1ALDH1A1MAPK1HPGDHSD17B10
SCHEMBL4769167 0.69 ELANE (0.44) ELANEHPGDHSD17B10NPSR1KMT2A
SCHEMBL15884274 0.69 ADORA3 (0.43) NPC1ALDH1A1MAPK1HPGDHSD17B10
SCHEMBL9295372 0.69 HSP90AA1 (0.51) NPC1ALDH1A1MAPK1HPGDHSD17B10
SCHEMBL18952037 0.68 DGAT1 (0.43) NPC1LMNAEGFRERBB2HSD17B10
Hydrochloric Acid SCHEMBL18939054 0.68 DGAT1 (0.42) NPC1LMNAEGFRERBB2HSD17B10
SCHEMBL15884497 0.67 ADORA3 (0.43) NPC1ALDH1A1MAPK1HPGDHSD17B10
SCHEMBL19258536 0.67 HASPIN (0.53) NPC1LMNAALDH1A1HPGDHSD17B10

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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 NPC1 2197/4885LMNA 1415/4885ELANE 2007/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 NPC1 1945/4885LMNA 1105/4885ELANE 2241/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 NPC1 2197/4885LMNA 1415/4885ELANE 2007/4885

“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.