SCHEMBL18788198

SCHEMBL18788198

O=c1[nH]c(=S)[nH]c2cc(-c3ccc(F)cc3)nn12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 1/20 0.50
▸ GRM2 Q14416 1/20 0.43
▸ PARP1 P09874 5/20 0.41
▸ KDM5B Q9UGL1 1/20 0.38
▸ ADORA3 P0DMS8 2/20 0.38
▸ RAD51 Q06609 1/20 0.37
▸ TYMP P19971 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ HIPK2 Q9H2X6 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ XDH P47989 1/20 0.36

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
SCHEMBL5465208 0.85 PARP1 (0.56) PARP1ADORA3
SCHEMBL31624240 0.72 PLAT (0.48) PLATGRM2PARP1KDM5BRAD51
SCHEMBL23998523 0.72 PARP1 (0.58) PARP1KDM5BADORA3
SCHEMBL28990869 0.72 PLAT (0.47) PLATGRM2PARP1KDM5BRAD51
SCHEMBL14373987 0.70 KDM4E (0.47) PARP1
SCHEMBL24693475 0.70 HAVCR2 (0.33) TYMP
SCHEMBL18788145 0.69 GRM2 (0.46) GRM2RAD51
SCHEMBL9423003 0.67 GSK3B (0.44) PLATPARP1KDM5BADORA3RAD51
SCHEMBL17730629 0.67 PLAT (1.00) PLAT
Hydrochloric Acid SCHEMBL19611709 0.66 PLAT (0.98) PLAT

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-10000497-B2 Fused bicyclic heteroaromatic derivatives as kinase inhibitors UCB BIOPHARMA SPRL (BY) 2018-06-19 — — US disclosed
US-20170121337-A1 Fused Bicyclic Heteroaromatic Derivatives as Kinase Inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-05-04 — — 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-20170121337-A1 Fused Bicyclic Heteroaromatic Derivatives as Kinase Inhibitors PI4KB, PI4KA, PI4K2B PLAT 4535/4885GRM2 2093/4885PARP1 863/4885
US-10000497-B2 Fused bicyclic heteroaromatic derivatives as kinase inhibitors PI4KB, PI4KA, PI4K2B PLAT 4535/4885GRM2 2093/4885PARP1 863/4885

“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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