SCHEMBL15022986

SCHEMBL15022986

C(#Cc1ccc2ccccc2n1)c1ccc(-n2nccc2-c2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 8/20 0.57
▸ MAPK9 P45984 7/20 0.57
▸ MAPK8 P45983 1/20 0.50
▸ GRM5 P41594 3/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ PDE10A Q9Y233 4/20 0.41
▸ TTR P02766 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ AR P10275 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NT5E P21589 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL15022071 0.95 MAPK9 (0.56) MAPK10MAPK9MAPK8GRM5KCNH2
SCHEMBL15022081 0.82 GRM5 (0.44) MAPK10MAPK9MAPK8GRM5KCNH2
SCHEMBL15043369 0.81 GRM5 (0.42) MAPK10MAPK9GRM5KCNH2PDE10A
SCHEMBL15022286 0.76 GRM5 (0.42) MAPK10MAPK9MAPK8GRM5KCNH2
SCHEMBL3270070 0.75 PDE10A (0.71) MAPK10MAPK9MAPK8PDE10ACYP1A2
SCHEMBL15022990 0.75 MAPK10 (0.58) MAPK10MAPK9GRM5KCNH2PDE10A
SCHEMBL30122850 0.75 PDE10A (0.71) MAPK10MAPK9MAPK8PDE10ACYP1A2
SCHEMBL12884286 0.75 GRM5 (0.65) GRM5KCNH2TTRNPC1RAB9A
SCHEMBL15022079 0.74 PDE10A (0.51) PDE10ATTR
SCHEMBL15022987 0.73 MAPK9 (0.51) MAPK10MAPK9MAPK8

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
CN-103159738-B The heteroaryl aroma compounds of alkynyl bridging and application thereof 上海泓博智源医药股份有限公司 2016-09-07 — — CN 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
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 MAPK10 61/4885MAPK9 1943/4885MAPK8 2561/4885

“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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