SCHEMBL16134181

SCHEMBL16134181

Cc1cccnc1OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
SSTR4 P31391 6/20 0.39
SSTR1 P30872 3/20 0.39
METAP2 P50579 1/20 0.37
RIPK1 Q13546 1/20 0.36
NPC1 O15118 2/20 0.36
PLAU P00749 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2A6 P11509 1/20 0.36
HTR1A P08908 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL16887439 0.83 NOS3 (0.43) NOS3NOS1NOS2SSTR4METAP2
SCHEMBL3820870 0.79 ALDH1A1 (0.39) SSTR4SSTR1RIPK1HTR1ASLC6A2
SCHEMBL16175533 0.78 NFE2L2 (0.41) SSTR4RIPK1HTR1ASLC6A2SLC6A4
SCHEMBL482170 0.78 GAA (0.46) RIPK1NPC1RAB9AGAA
SCHEMBL29308358 0.78 SSTR4 (0.39) SSTR4RIPK1HTR1ASLC6A2SLC6A4
SCHEMBL26750065 0.76 SSTR4 (0.48) NOS3NOS1NOS2SSTR4SSTR1
SCHEMBL29497427 0.76
SCHEMBL129117 0.76
SCHEMBL896649 0.75 ENPP2 (0.34) SSTR4RIPK1GAAMEN1KMT2A
SCHEMBL20844381 0.75 P2RY1 (0.39) RIPK1SLC6A2GAA

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
EP-3686197-B1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-06-21 EP disclosed
US-9315505-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2016-04-19 US disclosed
US-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-16 US disclosed
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2014-10-02 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 (2 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-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB NOS3 1630/4885NOS1 2409/4885NOS2 2455/4885
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, AKT3, PIK3CD NOS3 1743/4885NOS1 3491/4885NOS2 3515/4885

“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.