SCHEMBL15906808

SCHEMBL15906808

CC(C)c1cc(-c2ccccc2)c(C#N)c(N2CCNCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA2A P29274 2/20 0.41
ADRA2A P08913 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL15900622 0.86 IGF1R (0.39) LMNAKMT2AATMKDM4EALDH1A1
SCHEMBL14251679 0.86 IGF1R (0.39) LMNAKMT2AATMKDM4EALDH1A1
SCHEMBL14251240 0.81 ALDH1A1 (0.57) LMNACYP1A2TP53KMT2AKDM4E
SCHEMBL15906807 0.77 TAAR1 (0.46) LMNACYP1A2CYP3A4TP53CYP2D6
SCHEMBL15900989 0.74 IDH1 (0.54)
SCHEMBL15900655 0.74 IDH1 (0.41) LMNACYP1A2KMT2AKDM4EALDH1A1
SCHEMBL14251606 0.73 SQOR (0.48) LMNACYP1A2CYP3A4KMT2AKDM4E
SCHEMBL14250314 0.73 L3MBTL1 (0.51) LMNACYP1A2CYP3A4KMT2AKDM4E
SCHEMBL7291236 0.72 CYP1A2 (0.54) LMNACYP1A2CYP3A4TP53CYP2D6
SCHEMBL20009340 0.72 HTR2C (0.55) LMNACYP1A2CYP3A4TP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2721019-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-08-08 EP disclosed
US-9856279-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-01-02 US disclosed
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-08-11 US disclosed
US-20140213580-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-07-31 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-20140213580-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE RNASE1, TP53, MCL1 LMNA 1157/4885CYP1A2 2792/4885CYP3A4 2672/4885
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, MMP8 LMNA 945/4885CYP1A2 4544/4885CYP3A4 4708/4885

“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.