SCHEMBL15053692

SCHEMBL15053692

[2H]C([2H])(c1ccnc2[nH]ccc12)n1ccc2c(NC(=O)Nc3ccccc3F)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
PTGER3 P43115 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 1/20 0.37
BRAF P15056 3/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
CDC7 O00311 1/20 0.35
AURKA O14965 1/20 0.35
PRKD3 O94806 1/20 0.35

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
SCHEMBL3706837 0.91 PTGER3 (0.42) BTKPTGER3RAB9ANPC1SMN1; SMN2
SCHEMBL15053505 0.91 BRAF (0.39) BTKPTGER3JAK2JAK1TYK2
SCHEMBL15053289 0.90 AURKA (0.44) BTKSMN1; SMN2JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL3697364 0.90 PTGER3 (0.41) BTKPTGER3RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL15053625 0.90 BRAF (0.38) BTKPTGER3JAK2JAK1TYK2
SCHEMBL15053588 0.90 BRAF (0.38) BTKRAB9AJAK2JAK1TYK2
SCHEMBL15053279 0.90 KDR (0.42) RAB9ANPC1SMN1; SMN2BRAFMAPT
SCHEMBL15053367 0.89 MET (0.40) BTKRAB9ANPC1SMN1; SMN2BRAF
SCHEMBL15053095 0.89 RAB9A (0.39) PTGER3RAB9ANPC1SMN1; SMN2JAK2
SCHEMBL15053321 0.89 JAK2 (0.37) RAB9ANPC1JAK2JAK1TYK2

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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US claimed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 BTK 337/4885PTGER3 3994/4885RAB9A 2322/4885

“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.