SCHEMBL18789197

SCHEMBL18789197

COc1ccc(CN2C(=O)c3c(Cl)cc(-n4ccc5cncnc54)cc3C2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK2 Q9HBH9 9/20 0.57
▸ MKNK1 Q9BUB5 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ CYP3A4 P08684 4/20 0.35
▸ USP2 O75604 3/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ MAPK1 P28482 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
SCHEMBL18789130 0.91 MKNK2 (0.55) MKNK2MKNK1KDM4EHKDC1CYP3A4
SCHEMBL18789181 0.86 MKNK2 (0.54) MKNK2MKNK1KDM4EHKDC1CYP3A4
SCHEMBL18789137 0.79 MKNK2 (0.49) MKNK2MKNK1CYP3A4USP2CYP1A2
SCHEMBL18789199 0.77 MKNK2 (0.49) MKNK2MKNK1KDM4EHKDC1CYP3A4
SCHEMBL18789123 0.77 MKNK2 (0.55) MKNK2MKNK1CYP3A4USP2CYP1A2
SCHEMBL18789219 0.76 MKNK2 (0.56) MKNK2MKNK1CYP3A4USP2CYP1A2
SCHEMBL18804757 0.75 MKNK2 (0.61) MKNK2MKNK1KDM4EHKDC1CYP3A4
SCHEMBL18789134 0.75 MKNK2 (0.53) MKNK2MKNK1KDM4EHKDC1CYP3A4
SCHEMBL18797852 0.75 MKNK2 (0.47) MKNK2MKNK1CYP3A4ALDH1A1ALOX15
SCHEMBL18789152 0.74 MKNK2 (0.47) MKNK2MKNK1KDM4EHKDC1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121339-A1 PYRROLO-, PYRAZOLO-, IMIDAZO-PYRIMIDINE AND PYRIDINE COMPOUNDS THAT INHIBIT MNK1 AND MNK2 EFFECTOR THERAPEUTICS INC (US) 2017-05-04 — — US disclosed
WO-2017075412-A1 PYRROLO-, PYRAZOLO-, IMIDAZO-PYRIMIDINE AND PYRIDINE COMPOUNDS THAT INHIBIT MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2017-05-04 — — WO disclosed
US-20170121339-A1 PYRROLO-, PYRAZOLO-, IMIDAZO-PYRIMIDINE AND PYRIDINE COMPOUNDS THAT INHIBIT MNK1 AND MNK2 EFFECTOR THERAPEUTICS INC (US) 2017-05-04 — — 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-20170121339-A1 PYRROLO-, PYRAZOLO-, IMIDAZO-PYRIMIDINE AND PYRIDINE COMPOUNDS THAT INHIBIT MNK1 AND MNK2 NEK9, NEK2, TYK2 MKNK2 38/4885MKNK1 67/4885KDM4E 2806/4885

“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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