SCHEMBL1785575

SCHEMBL1785575

O=c1[nH]nc(C#Cc2ccccc2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ AR P10275 5/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ PRMT5 O14744 1/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ POLB P06746 3/20 0.43
▸ APP P05067 1/20 0.41
▸ IP6K1 Q92551 1/20 0.41
▸ IP6K3 Q96PC2 1/20 0.41
▸ IP6K2 Q9UHH9 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
SCHEMBL7982776 0.79 KDM4E (0.48) ADORA2AAPPKDM4EALDH1A1GAA
SCHEMBL12269775 0.69 MAP2K4 (0.58) KDM4EALDH1A1GAA
SCHEMBL28599648 0.69 IP6K1 (0.48) PARP1LMNAADORA2AAPPIP6K1
SCHEMBL29870198 0.68 NPSR1 (1.00) ATMNPSR1LMNAPOLBKDM4E
SCHEMBL581143 0.68 NPSR1 (1.00) ATMNPSR1LMNAPOLBKDM4E
SCHEMBL4006815 0.68 MAPT (0.46) PARP1ADORA2AAPPKDM4EGAA
SCHEMBL12269760 0.68 PIK3CA (0.54) ADORA2AKDM4EALDH1A1GAAHSD17B10
SCHEMBL1032659 0.67 PRMT5 (0.60) ATMNPSR1ARPARP1LMNA
SCHEMBL5373162 0.67 ITK (0.50) ARIP6K1IP6K3IP6K2GRM5
SCHEMBL1788291 0.67 BCAT1 (0.42) ADORA2AAPPIP6K1IP6K3IP6K2

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-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — 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 (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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 ATM 3548/4885NPSR1 505/4885AR 2066/4885

“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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