SCHEMBL1408300

SCHEMBL1408300

CN1CCN(Cc2cccc(-n3nc(C(C)(C)C)cc3N)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NMT1 P30419 3/20 0.41
▸ MAPK14 Q16539 3/20 0.40
▸ CHKA P35790 3/20 0.39
▸ AGXT P21549 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ NCF1 P14598 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL1407899 0.87 NCF1 (0.49) LMNAKDM4EALDH1A1MAPTMAPK14
SCHEMBL30704930 0.87 NCF1 (0.49) LMNAKDM4EALDH1A1MAPTMAPK14
SCHEMBL1408486 0.87 LMNA (0.51) MC4RLMNAKDM4EALDH1A1MAPT
SCHEMBL15007067 0.85 KMT2A (0.42) ALDH1A1MAPK14KMT2A
SCHEMBL4170616 0.81 MAPK14 (0.46) MAPK14
SCHEMBL4170619 0.81 MAPK14 (0.45) MAPK14
SCHEMBL14403171 0.80 MAPK14 (0.57) ALDH1A1MAPK14
SCHEMBL2725770 0.79 MAPK14 (0.43) ALDH1A1MAPK14
SCHEMBL2080021 0.79 MAPK14 (0.47) ALDH1A1MAPK14
SCHEMBL2082239 0.79 ALDH1A1 (0.46) ALDH1A1MAPK14ABL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-07-19 — — US disclosed
US-8030311-B2 Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2011-10-04 — — US disclosed
EP-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 — — EP disclosed
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors NOVARTIS AG (CH) 2008-12-25 — — US disclosed
EP-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 — — EP disclosed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 — — WO 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 (2 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-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS MAP3K10, MAP3K20, MAP3K9 MC4R 4300/4885LMNA 1846/4885KDM4E 883/4885
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors MAP3K20, MAP3K10, MAP3K9 MC4R 4184/4885LMNA 1658/4885KDM4E 988/4885

“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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