SCHEMBL12359403

SCHEMBL12359403

Cc1cc(C)cc(N2CCN(C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 3/20 0.54
GAA P10253 3/20 0.54
ADRA2C P18825 2/20 0.54
PTK2B Q14289 2/20 0.54
KMT2A Q03164 2/20 0.54
GFER P55789 1/20 0.54
ESR2 Q92731 1/20 0.54
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR3A P46098 1/20 0.47
HTR1A P08908 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
HRH4 Q9H3N8 2/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL18278152 0.90 ADRA2C (0.59) MAPTALDH1A1KDM4EGAAADRA2C
SCHEMBL12659839 0.86 BCL2A1 (0.49) MAPTALDH1A1KDM4EGAAADRA2C
SCHEMBL18294443 0.86 ADRA2C (0.42) MAPTALDH1A1KDM4EGAAADRA2C
SCHEMBL8263604 0.86 FFAR4 (0.45) MAPTALDH1A1KDM4EGAAADRA2C
SCHEMBL14032564 0.84 LMNA (0.57) MAPTALDH1A1KDM4EGAAADRA2C
SCHEMBL24123771 0.82 ADRA2C (0.40) MAPTALDH1A1KDM4EGAAADRA2C
SCHEMBL12090071 0.82 KDM4E (0.43) MAPTALDH1A1KDM4EGAAADRA2C
SCHEMBL24123750 0.82 ADRB1 (0.51) MAPTALDH1A1KDM4EGAAADRA2C
SCHEMBL428031 0.81 ADRB1 (0.50) ALDH1A1
SCHEMBL13453374 0.81 NOS3 (0.42) MAPTALDH1A1KDM4EGAAADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 US disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 US disclosed
WO-2015148854-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-10-01 WO disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-7884098-B2 2-{[5-Fluoro-2-({3-[2-(4-morpholinyl)ethyl]phenyl}amino)-4-pyrimidinyl]amino}-N-(2-hydroxyethyl)benzamide, useful in the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-02-08 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2010-01-21 US disclosed
US-7625903-B2 Anticancer agent; N-(1-methylethyl)-2-[(5-methyl-2-{[3-(4-methyl-2-oxo-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]benzamide SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
WO-2008092049-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2008-07-31 WO disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP 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 (5 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-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB MAPT 2387/4885ALDH1A1 3182/4885KDM4E 775/4885
US-20230203003-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 MAPT 3735/4885ALDH1A1 2288/4885KDM4E 751/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 MAPT 3471/4885ALDH1A1 381/4885KDM4E 1813/4885
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB MAPT 2463/4885ALDH1A1 2849/4885KDM4E 790/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 MAPT 3014/4885ALDH1A1 1900/4885KDM4E 814/4885

“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.