SCHEMBL16440191

SCHEMBL16440191

Cc1ccc(N2CCOC(CN(C)C)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SYK P43405 1/20 0.41
LRRK2 Q5S007 1/20 0.39
MAPT P10636 5/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 2/20 0.38
PKM P14618 1/20 0.38
PDK1 Q15118 1/20 0.37
TRPA1 O75762 1/20 0.37
ADRB1 P08588 1/20 0.37
ALDH1A1 P00352 3/20 0.36
AKR1C3 P42330 1/20 0.36
ACKR3 P25106 1/20 0.35
HTR7 P34969 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 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
SCHEMBL24495261 0.87 SYK (0.40) GAASYKLRRK2MAPTTRPA1
SCHEMBL12236016 0.87 SYK (0.42) GAANPC1RAB9AL3MBTL1SYK
SCHEMBL2505100 0.87 SYK (0.42) GAANPC1RAB9AL3MBTL1SYK
SCHEMBL18436051 0.87 LMNA (0.43) SYKLRRK2MAPK1
SCHEMBL23114522 0.86 TDP1 (0.40) GAANPC1RAB9AL3MBTL1SYK
SCHEMBL19012754 0.86 TDP1 (0.40) GAANPC1RAB9AL3MBTL1SYK
SCHEMBL23108995 0.85 ALDH1A1 (0.46) GAANPC1RAB9AL3MBTL1SYK
SCHEMBL23107110 0.85 ALDH1A1 (0.46) GAANPC1RAB9AL3MBTL1SYK
SCHEMBL23103287 0.85 DRD4 (0.40) GAASYKLRRK2MAPTTP53
SCHEMBL24859545 0.85 DRD4 (0.40) GAASYKLRRK2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 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 (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-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN GAA 1899/4885NPC1 4653/4885RAB9A 3263/4885
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH GAA 2952/4885NPC1 1360/4885RAB9A 241/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN GAA 1861/4885NPC1 4638/4885RAB9A 3273/4885

“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.