SCHEMBL4066362

SCHEMBL4066362

S=C(Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
ALOX12 P18054 1/20 0.45
GRIN2B Q13224 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
PDPK1 O15530 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CTBP2 P56545 1/20 0.42

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
SCHEMBL4066365 0.92 MAPT (0.61) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL2321492 0.85 CTSL (0.48) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL1129900 0.79 L3MBTL1 (0.55) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL4592244 0.76 CTBP2 (0.48) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL6309158 0.76 L3MBTL1 (0.52) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL2448732 0.76 L3MBTL1 (0.52) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL571046 0.76 L3MBTL1 (0.85) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL6581234 0.76 LTA4H (0.53) L3MBTL1MAPTKMT2AALDH1A1KDM4E
SCHEMBL11614105 0.75 KMT2A (0.45) L3MBTL1MAPTKMT2AMEN1HPGD
Hydrochloric Acid SCHEMBL28260371 0.74 L3MBTL1 (0.82) L3MBTL1MAPTKMT2AMEN1HPGD

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
EP-1349841-B1 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-12-02 EP disclosed
EP-1349840-B1 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-03-11 EP disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-7129242-B2 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2006-10-31 US disclosed
US-7122544-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2006-10-17 US disclosed
US-20060030576-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2006-02-09 US disclosed
US-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-06-03 US disclosed
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-11-27 US disclosed
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-10-30 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 (4 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-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK MAPK6, MAPKAPK2, DUSP6 L3MBTL1 1784/4885MAPT 1178/4885KMT2A 3040/4885
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE L3MBTL1 3007/4885MAPT 2390/4885KMT2A 1671/4885
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto MAPK6, MAP3K6, MAPK1 L3MBTL1 3514/4885MAPT 1474/4885KMT2A 3647/4885
US-20060030576-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE L3MBTL1 2864/4885MAPT 2364/4885KMT2A 1385/4885

“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.