Sugi Predict

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SCHEMBL2390422

SCHEMBL2390422

CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNc2ccc(I)cc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.43
▸ KDM1A O60341 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ MAP2K1 Q02750 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ LIPC P11150 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CRHR1 P34998 2/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PBK Q96KB5 1/20 0.37

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
SCHEMBL15342779 1.00 DRD2 (0.43) DRD2KDM1AMAOBMAP2K1DRD3
SCHEMBL2390423 1.00 DRD2 (0.43) DRD2KDM1AMAOBMAP2K1DRD3
SCHEMBL2390523 0.82 DRD2 (0.49) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL2390531 0.82 DRD2 (0.49) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL31206123 0.80 F10 (0.42) DRD2KDM1ADRD3
SCHEMBL2388275 0.79 DRD2 (0.42) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL2388273 0.79 DRD2 (0.42) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL15342780 0.79 DRD2 (0.42) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL5548391 0.79 DRD2 (0.43) DRD2KDM1AMAOBDRD3KMT2A
SCHEMBL5548393 0.79 DRD2 (0.43) DRD2KDM1AMAOBDRD3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 — — US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 — — EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 — — US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 — — US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 — — US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 — — US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 — — EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 — — US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 — — US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 — — 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 (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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 DRD2 1974/4885KDM1A 1216/4885MAOB 1800/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 DRD2 1974/4885KDM1A 1216/4885MAOB 1800/4885

“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.