SCHEMBL16965442

SCHEMBL16965442

CC(C)(C)Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)ncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.38
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BCDIN3D Q7Z5W3 2/20 0.34
▸ CCNE2 O96020 3/20 0.33
▸ CDK4 P11802 3/20 0.33
▸ CCND1 P24385 3/20 0.33
▸ CCNE1 P24864 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ CCR9 P51686 1/20 0.31

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
SCHEMBL16965570 0.88 MAPK1 (0.39) MAPK1BCDIN3DCCR9MEN1KMT2A
SCHEMBL16965018 0.84 MAPK1 (0.37) MAPK1CCR9
SCHEMBL16964620 0.82 MAPK1 (0.43) MAPK1RAB9ANPC1CCR9
SCHEMBL17108563 0.81 MAPK1 (0.48) MAPK1NPC1TP53HPGDSMN1; SMN2
SCHEMBL17108570 0.81 LMNA (0.38) MAPK1RAB9ANPC1LMNATP53
SCHEMBL16964640 0.81 MAPK1 (0.38) MAPK1BCDIN3D
SCHEMBL14908130 0.81 MAPK1 (0.39) MAPK1CCR9
SCHEMBL16965639 0.79 EGFR (0.42) MAPK1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL16965379 0.78 MAPK1 (0.36) MAPK1HPGDCDK2
SCHEMBL14895571 0.78 MAPK1 (0.36) MAPK1

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-2900241-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-08-08 — — EP disclosed
EP-2900241-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-08-08 — — EP disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 — — US disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 — — US disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 — — US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 — — US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 — — US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 — — US disclosed
EP-2900241-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 — — EP 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-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 MAPK1 1/4885RAB9A 536/4885NPC1 1602/4885

“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