SCHEMBL18211807

SCHEMBL18211807

Cc1nc(NC(C)C)nc2ccoc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
KCNH3 Q9ULD8 6/20 0.38
SYK P43405 1/20 0.37
GAA P10253 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL16840458 0.81 NUDT1 (0.39) APPBCHEACHESYKTDP1
SCHEMBL18211812 0.74 AURKA (0.32) KMT2AALDH1A1ADORA3ADORA2AADORA1
SCHEMBL14213484 0.72 CYP2A6 (0.33) ALDH1A1LMNAHTT
SCHEMBL7607941 0.69 KDM4E (0.35) ALDH1A1LMNAKDM4E
SCHEMBL22161609 0.69 CYP2A6 (0.31)
SCHEMBL14213485 0.69 HSD17B10 (0.50) ALDH1A1ADORA2ACYP1A2
SCHEMBL3715489 0.69 SYK (0.41) APPSYKGAATDP1KMT2A
SCHEMBL21341741 0.67 ALDH1A1 (0.31) ALDH1A1ADORA2AADORA1LMNA
SCHEMBL18924353 0.67 PDE4A (0.39) ALDH1A1ADORA3ADORA2AADORA1LMNA
SCHEMBL4961492 0.64 GAA (0.48) KCNH3GAATDP1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670196-B2 Thiazole-substituted aminoheteroaryls as Spleen Tyrosine Kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-06-06 US disclosed
US-9670196-B2 Thiazole-substituted aminoheteroaryls as Spleen Tyrosine Kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-06-06 US disclosed
US-20160326156-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-10 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-20160326156-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, TYRO3 APP 2357/4885BCHE 3579/4885ACHE 3364/4885

“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.