SCHEMBL4478290

SCHEMBL4478290

CC(=O)NCc1cc(Cl)ncc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
SETDB1 Q15047 4/20 0.43
NPSR1 Q6W5P4 1/20 0.39
NOTUM Q6P988 1/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
EPHX2 P34913 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL30791549 0.75 NOTUM (0.48) L3MBTL1SETDB1NPSR1NOTUMPOLB
SCHEMBL13990810 0.74 GRIN2D (0.39) L3MBTL1NPSR1RAB9AMAPTALDH1A1
SCHEMBL5006253 0.73 SETDB1 (0.49) L3MBTL1SETDB1NPSR1POLBMALT1
SCHEMBL18961127 0.72 NPSR1 (0.49) L3MBTL1SETDB1NPSR1NOTUMPOLB
SCHEMBL3387105 0.72 SETDB1 (0.47) L3MBTL1SETDB1NPSR1NOTUMPOLB
SCHEMBL939692 0.72 FABP4 (0.39) L3MBTL1CYP1A2CYP2C9MAPTLMNA
SCHEMBL29811285 0.71 ALDH1A1 (0.57) L3MBTL1POLBCYP2C9RAB9ANPC1
SCHEMBL2632301 0.71 ALDH1A1 (0.57) L3MBTL1POLBCYP2C9RAB9ANPC1
SCHEMBL18497250 0.71 SETDB1 (0.47) L3MBTL1SETDB1NPSR1NOTUMPOLB
SCHEMBL16880501 0.71 L3MBTL1 (0.39) L3MBTL1SETDB1POLBCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH L3MBTL1 4151/4885SETDB1 3225/4885NPSR1 2860/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH L3MBTL1 4151/4885SETDB1 3225/4885NPSR1 2860/4885

“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.