SCHEMBL14911795

SCHEMBL14911795

O=c1[nH]cc(-c2ccncc2)c2sccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.53
CDK2 P24941 9/20 0.47
HSD17B10 Q99714 2/20 0.41
IMPDH2 P12268 1/20 0.41
MAPK1 P28482 1/20 0.41
NFATC1 O95644 1/20 0.41
DYRK1A Q13627 1/20 0.41
PARP1 P09874 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
AURKA O14965 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL30219889 0.84 PARP1 (0.61) GSK3BPARP1MAPTKDM4EAURKA
SCHEMBL1720510 0.75 PARP1 (0.72) GSK3BCDK2HSD17B10IMPDH2MAPK1
SCHEMBL5240090 0.69 GSK3B (0.45) GSK3BMAPK1PARP1KDM4EMEN1
SCHEMBL15716703 0.69 PARP1 (0.40) MAPK1PARP1KDM4EMEN1ALDH1A1
SCHEMBL30219913 0.69 PARP1 (0.50) MAPK1PARP1KDM4EMEN1ALDH1A1
SCHEMBL29196591 0.66 KDM4E (0.56) HSD17B10DYRK1APARP1KDM4EALDH1A1
SCHEMBL3069636 0.66 DPYD (0.42) GSK3BCDK2IMPDH2DYRK1APARP1
SCHEMBL22301763 0.66 PARP1 (0.37) MAPK1PARP1KDM4EMEN1ALDH1A1
Lophocladine A SCHEMBL24941905 0.65 PARP1 (0.66) GSK3BCDK2HSD17B10IMPDH2MAPK1
SCHEMBL31484409 0.65 ALDH1A1 (0.41) MAPK1PARP1MAPTKDM4EMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2024-12-10 US disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 US disclosed
US-9657034-B2 Substituted furo[3,2-c]pyridines, thieno[3,2-c]pyridines, thieno[2,3-d]pyridazines and pyrido[3,4-d]pyridazines as phosphodiesterase type 10A inhibitors AbbVie Deuschland GmbH & Co. KG (DE) 2017-05-23 US disclosed
US-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-05-19 US disclosed
US-9273068-B2 Substituted isoquinolines and phthalazines as inhibitors of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-01 US disclosed
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US disclosed
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 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 (5 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-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B GSK3B 946/4885CDK2 1058/4885HSD17B10 207/4885
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B GSK3B 946/4885CDK2 1058/4885HSD17B10 207/4885
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 GSK3B 2070/4885CDK2 783/4885HSD17B10 1332/4885
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 GSK3B 2070/4885CDK2 783/4885HSD17B10 1332/4885
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE2A GSK3B 818/4885CDK2 2484/4885HSD17B10 57/4885

“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.