SCHEMBL2364044

SCHEMBL2364044

CCCCCc1cnnc(SC)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 8/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP1A2 P05177 3/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 2/20 0.35
PKM P14618 1/20 0.33
POLB P06746 1/20 0.32
MIF P14174 1/20 0.32

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
SCHEMBL31009023 0.95 MAPT (0.44) MAPTSMN1; SMN2HTTKCNH2ALDH1A1
SCHEMBL23671221 0.95 MAPT (0.44) MAPTSMN1; SMN2HTTKCNH2ALDH1A1
SCHEMBL11130289 0.78 KCNH2 (0.47) KCNH2CYP2C19CYP1A2CYP3A4
SCHEMBL11117895 0.77 KCNH2 (0.46) KCNH2L3MBTL1CYP2C9CYP2C19TDP1
SCHEMBL3248160 0.75 KCNH2 (0.44) KCNH2L3MBTL1CYP2C9CYP2C19TDP1
SCHEMBL2359176 0.75 KCNH2 (0.44) MAPTSMN1; SMN2KCNH2ALDH1A1L3MBTL1
SCHEMBL2364312 0.70 KCNH2 (0.40) KCNH2L3MBTL1CYP2C9CYP2C19TDP1
SCHEMBL10858339 0.69 MEN1 (0.35) KCNH2ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL10830973 0.68 KCNH2 (0.44) KCNH2ALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL7057663 0.67 KCNH2 (0.47) KCNH2ALDH1A1L3MBTL1TDP1CYP3A4

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 16 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
US-10988455-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2021-04-27 US disclosed
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2019-02-14 US disclosed
US-10112923-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2018-10-30 US disclosed
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2017-10-12 US disclosed
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2016-06-23 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
US-4310551-A Pharmacologically active substituted 1,2,4-triazines DIAMOND SHAMROCK CORPORATION (US) 1982-01-12 US disclosed
US-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US disclosed
US-4157392-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS DIAMOND SHAMROCK CORPORATION (US) 1979-06-05 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 (8 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 MAPT 4623/4885SMN1; SMN2 3817/4885HTT 1094/4885
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 MAPT 4623/4885SMN1; SMN2 3817/4885HTT 1094/4885
US-10988455-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 MAPT 4623/4885SMN1; SMN2 3817/4885HTT 1094/4885
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 MAPT 4654/4885SMN1; SMN2 3850/4885HTT 1145/4885
US-20230021177-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 MAPT 4700/4885SMN1; SMN2 3598/4885HTT 667/4885
US-10112923-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 MAPT 4580/4885SMN1; SMN2 3837/4885HTT 1067/4885
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES PTGER1, LTB4R2, LTB4R MAPT 4638/4885SMN1; SMN2 3621/4885HTT 1492/4885
US-20130029963-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 MAPT 4623/4885SMN1; SMN2 3817/4885HTT 1094/4885

“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.