SCHEMBL2393070

SCHEMBL2393070

N[C@H]1CC[C@H](CNCc2ccc(I)cc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BACE1 P56817 1/20 0.38
KCNH2 Q12809 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
PKM P14618 1/20 0.34
AKR1B1 P15121 1/20 0.34
MAP2K1 Q02750 3/20 0.34
RAF1 P04049 1/20 0.34

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
SCHEMBL2388265 0.76 CXCR3 (0.50) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3956974 0.71 HDAC6 (0.58) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL15648265 0.71 HDAC6 (0.52) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2393127 0.70 CHEK1 (0.39) HDAC6HDAC8KMT2AMEN1TP53
SCHEMBL2394882 0.69 PRMT5 (0.41) HDAC6HDAC3HDAC1HDAC8KMT2A
SCHEMBL16663613 0.69 HDAC6 (0.59) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL22919775 0.69 HDAC6 (0.59) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL11935144 0.68 CXCR4 (0.56) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL2393068 0.68 MAP2K1 (0.30) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL27694180 0.67 AKR1B1 (0.48) CYP2C9CYP2C19AKR1B1MAP2K1MAP2K2

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-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
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

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 HDAC6 1090/4885HDAC3 1066/4885HDAC1 550/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 HDAC6 1090/4885HDAC3 1066/4885HDAC1 550/4885

“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.