SCHEMBL2439309

SCHEMBL2439309

[NH]C(=O)c1cnc(N)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 3/20 0.42
▸ GABRD O14764 3/20 0.42
▸ GABRA1 P14867 3/20 0.42
▸ GABRB1 P18505 3/20 0.42
▸ GABRG2 P18507 3/20 0.42
▸ GABRB3 P28472 3/20 0.42
▸ GABRA5 P31644 3/20 0.42
▸ GABRA3 P34903 3/20 0.42
▸ GABRA2 P47869 3/20 0.42
▸ GABRB2 P47870 3/20 0.42
▸ GABRA4 P48169 3/20 0.42
▸ GABRE P78334 3/20 0.42
▸ GABRA6 Q16445 3/20 0.42
▸ GABRG1 Q8N1C3 3/20 0.42
▸ GABRG3 Q99928 3/20 0.42
▸ GABRQ Q9UN88 3/20 0.42
▸ ASPH Q12797 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ PIK3CA P42336 5/20 0.37
▸ PIK3CD O00329 2/20 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
SCHEMBL2439314 0.84 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15038347 0.79 MAPT (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22583123 0.76 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15038315 0.74 HSD17B10 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16712832 0.73 CA2 (0.45) ASPHPIK3CAPIK3CDMTORPIK3C2B
SCHEMBL6933361 0.72 KCNK3 (0.55) CDK8
SCHEMBL29498290 0.71 CA2 (0.43) PIK3CAPIK3CDMTORPIK3C2BPIK3R1
SCHEMBL16446988 0.69 KDM4E (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL503326 0.68 PIK3CD (0.41) PIK3CAPIK3CDMTORPIK3C2BPIK3R1
SCHEMBL857498 0.68 PIK3CD (0.41) PIK3CAPIK3CDMTORPIK3C2BPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2013-02-14 — — US disclosed
EP-2547684-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES University of Basel (CH) 2013-01-23 — — EP disclosed
WO-2011114275-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-09-22 — — WO 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-20130040934-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES CDK4, GRK4, RPS6KA4 GABRP 3480/4885GABRD 3425/4885GABRA1 3833/4885

“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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