SCHEMBL2170098

SCHEMBL2170098

Cc1cccc(C#N)c1-n1cccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
GRM5 P41594 4/20 0.39
MAPT P10636 1/20 0.36
ADORA2A P29274 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 1/20 0.35
CDK2 P24941 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MPO P05164 1/20 0.34
CRHR1 P34998 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
SCHEMBL18151672 0.87 TSHR (0.42) TSHRGRM5ADORA2ACYP1A2CYP2C19
SCHEMBL31589340 0.82 MAPK1 (0.44) MAPTCYP1A2CYP2C19NPC1MAPK1
SCHEMBL5539875 0.81 GRM5 (0.40) GRM5ADORA2ANPC1MAPK1MEN1
SCHEMBL1586174 0.79 TSHR (0.43) TSHRCYP1A2CYP2C19NOTUMHCRTR1
SCHEMBL1586059 0.78 TSHR (0.48) TSHRCYP1A2CYP2C19EGLN2KMT2A
SCHEMBL2170102 0.77 NPC1 (0.46) TSHRGRM5MAPTADORA2ACYP1A2
SCHEMBL18151671 0.77 KDM4E (0.40) TSHRGRM5MAPTADORA2AMAPK1
SCHEMBL9234249 0.76 TSHR (0.43) TSHRMAPTADORA2ACYP1A2CYP2C19
SCHEMBL18151670 0.76 NPC1 (0.42) TSHRGRM5CYP1A2CYP2C19NPC1
SCHEMBL1836275 0.75 CD44 (0.41) TSHRMAPTADORA2ANPC1MAPK1

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-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 TSHR 3792/4885GRM5 2717/4885MAPT 1521/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN TSHR 3792/4885GRM5 2717/4885MAPT 1521/4885

“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.