SCHEMBL5002028

SCHEMBL5002028

Cc1c(CN[C@H]2CC[C@H](CNc3nc(N)c([N+](=O)[O-])c(Cc4cnccc4C(F)(F)F)n3)CC2)cnn1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.38
TDP1 Q9NUW8 1/20 0.33
PRKCD Q05655 4/20 0.32
LMNA P02545 3/20 0.31
HPGD P15428 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4479707 0.90 PRKCQ (0.35) PRKCQPRKCDLMNAHPGDALDH1A1
SCHEMBL5999051 0.90 PRKCQ (0.35) PRKCQPRKCDLMNAHPGDALDH1A1
SCHEMBL5177096 0.80 PRKCQ (0.58) PRKCQPRKCDGSK3AGSK3BCYP3A4
SCHEMBL4472726 0.76 PRKCQ (0.44) PRKCQLMNAHPGDGSK3AGSK3B
SCHEMBL4477995 0.73 PRKCQ (0.40) PRKCQPRKCDLMNAHPGDGSK3A
SCHEMBL5002034 0.73
SCHEMBL4474922 0.71 PRKCQ (0.37) PRKCQTDP1PRKCDLMNAGSK3A
SCHEMBL3814212 0.65 PRKCQ (0.58) PRKCQPRKCDLMNAHPGDGSK3A
SCHEMBL5178470 0.65 PRKCQ (0.70) PRKCQPRKCDGSK3AGSK3BCYP3A4
SCHEMBL4471874 0.64 PRKCQ (0.45) PRKCQLMNAHPGDGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 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 (1 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 2/4885TDP1 147/4885PRKCD 9/4885

“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.