SCHEMBL26337674

SCHEMBL26337674

Cc1cnc(C(F)(F)F)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.42
SIRT3 Q9NTG7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SYK P43405 2/20 0.39
CDK8 P49336 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
KMT2A Q03164 1/20 0.38
AGBL2 Q5U5Z8 1/20 0.37
PARP1 P09874 4/20 0.36
POLQ O75417 1/20 0.36
SORT1 Q99523 1/20 0.36
SLC2A1 P11166 1/20 0.35
DHODH Q02127 1/20 0.35
CA2 P00918 1/20 0.35
CHKA P35790 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL4719793 0.86 NNMT (0.54) NNMTSIRT3TDP1SYKCDK8
SCHEMBL16099244 0.84 ASPH (0.45) AGBL2POLQSORT1DHODHGABRP
SCHEMBL31696427 0.81 KDM4E (0.41) SYKKMT2APARP1CA2CHKA
SCHEMBL24391488 0.80 POLQ (0.42) POLQ
SCHEMBL31561420 0.80 POLQ (0.42) POLQ
SCHEMBL19117674 0.80 P2RX3 (0.37) NNMTSYKKMT2APARP1
SCHEMBL2987993 0.79 KMT2A (0.38) SYKKMT2APARP1CA2CHKA
SCHEMBL22542502 0.79 CASP1 (0.42) NNMTKMT2ACA2
SCHEMBL29664135 0.79 KMT2A (0.38) SYKKMT2APARP1CA2CHKA
SCHEMBL29937712 0.78 KDM4E (0.51) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 NNMT 3089/4885SIRT3 460/4885TDP1 2428/4885

“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.