SCHEMBL2170102

SCHEMBL2170102

Cc1c(C#N)cccc1-n1cccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
MPO P05164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM5 P41594 4/20 0.39
NISCH Q9Y2I1 1/20 0.39
CRHR1 P34998 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC6A9 P48067 1/20 0.36
ADORA2A P29274 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL4219748 0.83 NPC1 (0.51) NPC1MAPK1MPOKDM4EMEN1
SCHEMBL29563253 0.83 NPC1 (0.51) NPC1MAPK1MPOKDM4EMEN1
SCHEMBL4215654 0.81 NPC1 (0.50) NPC1MAPK1MPOKDM4EMEN1
SCHEMBL20142746 0.79 NOTUM (0.41) KDM4EMAPTNISCHSMN1; SMN2HIF1A
SCHEMBL18151670 0.79 NPC1 (0.42) NPC1MAPK1MPOKDM4EMEN1
SCHEMBL11281747 0.78 MAPK1 (0.53) NPC1MAPK1KDM4EMEN1ALDH1A1
SCHEMBL2170098 0.77 TSHR (0.44) NPC1MAPK1MPOKDM4EMEN1
SCHEMBL26078395 0.77 NPC1 (0.43) NPC1MAPK1MPOKDM4EMEN1
SCHEMBL9234254 0.76 CYP19A1 (0.39) KDM4ELMNAGAANISCHSMN1; SMN2
SCHEMBL17194959 0.75 MAPK1 (0.50) NPC1MAPK1MPOKDM4EMEN1

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
CN-108463461-A Cephem compounds, its preparation and use 奈加-RGM制药有限公司 2018-08-28 CN disclosed
CN-105683194-A (aza)pyridopyrazolopyrimidinones and indazolopyrimidinones as inhibitors of fibrinolysis 拜耳制药股份公司 2016-06-15 CN disclosed
US-20130281455-A1 Phenylpyri(mi)dinylazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-24 US disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 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-20130281455-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN NPC1 3221/4885MAPK1 1606/4885MPO 206/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN NPC1 3221/4885MAPK1 1606/4885MPO 206/4885

“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.