SCHEMBL4471105

SCHEMBL4471105

COc1ccncc1CNc1ncc(C#N)c(NC[C@H]2CC[C@H](N)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 18/20 0.56
PRKCD Q05655 7/20 0.46
LRRK2 Q5S007 1/20 0.44
AXL P30530 1/20 0.42
FLT3 P36888 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
GAS6 Q14393 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
SCHEMBL4471112 1.00 PRKCQ (0.56) PRKCQPRKCDLRRK2AXLFLT3
SCHEMBL16513065 0.90 PRKCQ (0.59) PRKCQLRRK2AXLFLT3TYRO3
SCHEMBL4489103 0.84 PRKCQ (0.60) PRKCQAXLFLT3TYRO3MERTK
SCHEMBL4489111 0.84 PRKCQ (0.60) PRKCQAXLFLT3TYRO3MERTK
SCHEMBL13671847 0.82 PRKCQ (0.71) PRKCQPRKCD
SCHEMBL4470952 0.80 PRKCQ (0.58) PRKCQPRKCDAXLFLT3TYRO3
SCHEMBL4470964 0.80 PRKCQ (0.58) PRKCQPRKCDAXLFLT3TYRO3
SCHEMBL16513067 0.79 PRKCQ (0.60) PRKCQPRKCDAXLFLT3TYRO3
SCHEMBL16513066 0.79 PRKCQ (0.59) PRKCQPRKCDAXLFLT3TYRO3
SCHEMBL12641085 0.78 PRKCQ (0.60) PRKCQPRKCDTYRO3

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 PRKCQ 2/4885PRKCD 9/4885LRRK2 1830/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885PRKCD 9/4885LRRK2 1830/4885

“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.