SCHEMBL15022081

SCHEMBL15022081

C(#Cc1ccc2ccccc2n1)c1ccc(-n2ncnc2-c2ccncc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ TTR P02766 1/20 0.42
▸ PDE10A Q9Y233 2/20 0.40
▸ MAPK10 P53779 11/20 0.39
▸ MAPK9 P45984 9/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ AR P10275 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPK8 P45983 2/20 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
SCHEMBL15022986 0.82 MAPK10 (0.57) GRM5KCNH2TTRPDE10AMAPK10
SCHEMBL15022990 0.78 MAPK10 (0.58) GRM5KCNH2TTRPDE10AMAPK10
SCHEMBL15022071 0.77 MAPK9 (0.56) GRM5KCNH2TTRPDE10AMAPK10
SCHEMBL3270389 0.77 PDE10A (0.67) PDE10ACYP1A2
SCHEMBL30123632 0.77 PDE10A (0.67) PDE10ACYP1A2
SCHEMBL15043369 0.74 GRM5 (0.42) GRM5KCNH2TTRPDE10AMAPK10
SCHEMBL15022969 0.73 MAPT (0.34) GRM5MAPK10MAPK9MAPK8
SCHEMBL11253060 0.73 NOTUM (0.43) MAPK10MAPK9CYP1A2CYP3A4CYP2C9
SCHEMBL12884286 0.73 GRM5 (0.65) GRM5KCNH2TTRNPC1CYP1A2
SCHEMBL15022094 0.73 HDAC8 (0.44) GRM5MAPK10MAPK9

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
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 — — US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 — — US disclosed
US-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF SU ZHOU JING HONG BIOTECH CO., LTD. (CN) 2013-06-20 — — US disclosed
CN-103159738-A Mixed aromatic compound of alkynyl bridging and application thereof SHANGHAI HONGBO ZHIYUAN MEDICAL TECHNOLOGY CO LTD 2013-06-19 — — CN 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-20130158031-A1 ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF CHRNA10, ATXN10, SCN10A GRM5 472/4885KCNH2 548/4885TTR 2662/4885

“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.

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