SCHEMBL2815513

SCHEMBL2815513

CC(C)N(C)c1ccc(C#N)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
PDE10A Q9Y233 1/20 0.36
JAK3 P52333 3/20 0.36
JAK2 O60674 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP19A1 P11511 1/20 0.36
AR P10275 4/20 0.35
PGR P06401 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
IDH1 O75874 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL19418192 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1CCNA2CDK2
SCHEMBL19418347 0.83 ALDH1A1 (0.37) ALDH1A1KDM4EL3MBTL1CCNA2CDK2
SCHEMBL27306012 0.83 AR (0.52) ALDH1A1KDM4EL3MBTL1JAK3JAK2
SCHEMBL31473419 0.82 AR (0.39) ALDH1A1KDM4EL3MBTL1HDAC6CYP19A1
SCHEMBL27297816 0.82 AR (0.39) ALDH1A1KDM4EL3MBTL1HDAC6CYP19A1
SCHEMBL27306293 0.82 AR (0.40) ALDH1A1KDM4EL3MBTL1CCNA2CDK2
SCHEMBL27305667 0.81 AR (0.56) ALDH1A1KDM4EL3MBTL1JAK3JAK2
SCHEMBL27305881 0.81 JAK2 (0.42) ALDH1A1KDM4EL3MBTL1CCNA2CDK2
SCHEMBL165008 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1CCNA2CDK2
SCHEMBL31473395 0.79 SMN1; SMN2 (0.41) ALDH1A1SIRT2

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-20260042747-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ALIVEXIS, INC. (JP) 2026-02-12 US disclosed
EP-4565575-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Alivexis, Inc. (JP) 2025-06-11 EP disclosed
CN-119866333-A KIT inhibitors, compounds, pharmaceutical compositions, and methods of use thereof 亚力维克希斯股份有限公司 2025-04-22 CN disclosed
WO-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 WO disclosed
WO-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 WO disclosed
WO-2010117662-A1 MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2010-10-14 WO disclosed
WO-2010117662-A1 MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2010-10-14 WO disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 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-20100249071-A1 Modulators of S1P and Methods of Making And Using S1PR5, S1PR1, S1PR2 ALDH1A1 1654/4885KDM4E 1216/4885L3MBTL1 3241/4885
US-20260042747-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KIT, LTK, HRH3 ALDH1A1 1295/4885KDM4E 1369/4885L3MBTL1 2727/4885

“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.