SCHEMBL2775914

SCHEMBL2775914

Nc1ncnc2c(F)c(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 9/20 0.44
▸ LIMK1 P53667 4/20 0.41
▸ CDK5 Q00535 2/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ RET P07949 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ MET P08581 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ LTK P29376 1/20 0.41

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
SCHEMBL31729179 0.81 MAP4K4 (0.41) MAP4K4LIMK1CDK5CHEK1AURKA
SCHEMBL17142275 0.77 PDE5A (0.51) MAP4K4LIMK1CDK5CHEK1AURKA
SCHEMBL332545 0.76 ABCB1 (0.38) MAP4K4AURKADAPK3JAK2NTRK1
SCHEMBL21328888 0.76 ALDH1A1 (0.40) KDM4EALDH1A1MAPTHPGDCLK1
SCHEMBL20399046 0.76 PI4KA (0.48) MAP4K4LIMK1CDK5PI4KAPI4K2B
SCHEMBL21339894 0.72 ABCG2 (0.41) ABCB1ABCG2
SCHEMBL16712833 0.71 MAP4K4 (0.41) MAP4K4LIMK1CDK5CHEK1AURKA
SCHEMBL31728545 0.69 DGAT1 (0.39) MAP4K4LIMK1CLK1
SCHEMBL437507 0.68 MAP4K4 (0.35) MAP4K4
SCHEMBL442157 0.68 HAVCR2 (0.36) DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069325-A2 ISOQUINOLINE, QUINAZOLINE AND PHTHALAZINE DERIVATIVES Serenex, Inc. (US) 2009-06-17 — — EP claimed
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives ESANEX, INC. 2008-03-20 — — US claimed
WO-2008024977-A2 ISOQUINOLINE, QUINAZOLINE AND PHTHALAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 — — WO claimed
US-11311520-B2 Substituted dihydroimidazopyridinediones as MKNK1 and MKNK2 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-04-26 — — US disclosed
US-20210085656-A1 SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-03-25 — — US disclosed
US-20190350910-A1 SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-11-21 — — US disclosed
WO-2018134148-A1 SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-26 — — WO disclosed
US-7678803-B2 Heat Shock Protein-90 inhibitors; Antiproliferative agents; cancer, inflammation, arthritis, angiogenesis, viral, fungal and malaria infections; 1-(isoquinoline, quinazoline or pyrimidino(3,2-d)pyridine-substituted)-4,5,6,7-tetrahydroindol-4-ones or 4,5,6,7-pyrazol-4-ones SERENEX, INC. (US) 2010-03-16 — — US disclosed
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives ESANEX, INC. 2008-03-20 — — 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 (4 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-20190350910-A1 SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS MKNK1, MKNK2, MAP4K5 MAP4K4 9/4885LIMK1 327/4885CDK5 201/4885
US-20210085656-A1 SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS MKNK1, MKNK2, MAP4K5 MAP4K4 9/4885LIMK1 318/4885CDK5 196/4885
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives H1-5, NDUFS5, IL5 MAP4K4 1783/4885LIMK1 2742/4885CDK5 33/4885
US-11311520-B2 Substituted dihydroimidazopyridinediones as MKNK1 and MKNK2 inhibitors MKNK1, MKNK2, MAP4K5 MAP4K4 9/4885LIMK1 318/4885CDK5 196/4885

“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.

Send feedback