SCHEMBL12100271

SCHEMBL12100271

CC(C)(C)OC(=O)N1CCC=C(c2ccc3c(N)ncnn23)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
NR1H2 P55055 1/20 0.39
EGLN2 Q96KS0 2/20 0.38
RIPK1 Q13546 5/20 0.38
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
SRC P12931 2/20 0.35
EGFR P00533 1/20 0.35
ESR2 Q92731 1/20 0.35
MAPK1 P28482 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
MTOR P42345 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 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
SCHEMBL59946 0.91 MAP4K4 (0.39) MAP4K4NR1H2EGLN2RIPK1MTOR
SCHEMBL60338 0.84 GRM1 (0.46)
SCHEMBL28902622 0.83 RIPK1 (0.37) MAP4K4RIPK1CSNK2A2CSNK2A1
SCHEMBL14313009 0.83 TNK2 (0.42) MAP4K4
SCHEMBL16021415 0.82 DGAT2 (0.35) NR1H2EGLN2RIPK1DGAT2
SCHEMBL14327042 0.79 BTK (0.43) MAP4K4NR1H2EGLN2RIPK1SMARCA2
SCHEMBL14312660 0.79 NR1H2 (0.57) MAP4K4NR1H2EGLN2RIPK1ESR2
SCHEMBL14898489 0.78 MAP4K4 (0.36) MAP4K4EGLN2RIPK1SMARCA2SMARCA4
SCHEMBL5080489 0.78 EGLN2 (0.55) MAP4K4EGLN2SMARCA2SMARCA4PBRM1
SCHEMBL21199519 0.77 SRC (0.36) MAP4K4RIPK1SRCEGFRCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113336760-B Substituted amide derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2022-11-04 CN disclosed
CN-113493439-B Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2022-10-14 CN disclosed
EP-2424368-B1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed
US-8765754-B2 Pyrrolotriazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 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-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 MAP4K4 1324/4885NR1H2 3281/4885EGLN2 2116/4885

“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.