SCHEMBL2364340

SCHEMBL2364340

CCCCCOc1nnc(N)nc1CCCCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 11/20 0.46
▸ TLR7 Q9NYK1 9/20 0.46
▸ CDK1 P06493 3/20 0.44
▸ CCNB1 P14635 3/20 0.44
▸ CCNA2 P20248 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CCNA1 P78396 2/20 0.44
▸ DHFR P00374 3/20 0.41
▸ PIN1 Q13526 1/20 0.39
▸ FAAH O00519 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ MCHR1 Q99705 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
SCHEMBL3662375 0.77 DHFR (0.45) TLR8TLR7DHFR
SCHEMBL2364943 0.75 DHFR (0.47) TLR8TLR7DHFR
SCHEMBL1025561 0.72 DHFR (0.47) TLR8TLR7DHFR
SCHEMBL4551053 0.69 DHFR (0.45) TLR8TLR7DHFR
SCHEMBL12352102 0.69 DHFR (0.46) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL28150295 0.68 DHFR (0.44) TLR8DHFR
SCHEMBL6920805 0.68 CDK1 (0.35) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL28909381 0.67 DHFR (0.54) TLR8TLR7DHFR
SCHEMBL28526953 0.67 DHFR (0.54) TLR8TLR7DHFR
SCHEMBL15579444 0.67 DHFR (0.43) TLR8TLR7DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2023-01-19 — — US disclosed
EP-2531492-B1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LTD (GB) 2016-04-13 — — EP disclosed
US-9249130-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 — — US disclosed
US-20150005276-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2015-01-01 — — US disclosed
US-8809525-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2014-08-19 — — US disclosed
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2013-01-31 — — US disclosed
EP-2531492-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES Heptares Therapeutics Limited (GB) 2012-12-12 — — EP disclosed
WO-2011095625-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2011-08-11 — — 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 (3 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-20150005276-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 TLR8 1145/4885TLR7 851/4885CDK1 537/4885
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 TLR8 1322/4885TLR7 863/4885CDK1 555/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 TLR8 1145/4885TLR7 851/4885CDK1 537/4885

“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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