Sugi Predict

Sugi Predict / Compounds / SCHEMBL3987239

SCHEMBL3987239

SCHEMBL3987239

O=[N+]([O-])c1cnc(NCc2ccccc2OC(F)(F)F)cc1NCC1CCC(N2CC(O)C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 19/20 0.55
▸ PRKCD Q05655 4/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CSNK1D P48730 2/20 0.38
▸ CLK2 P49760 2/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ IRAK1 P51617 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.38
▸ CDK5 Q00535 2/20 0.38
▸ PRKAA1 Q13131 2/20 0.38
▸ STK3 Q13188 2/20 0.38
▸ CAMK2B Q13554 2/20 0.38
▸ CAMK2G Q13555 2/20 0.38

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
SCHEMBL3992368 0.91 PRKCQ (0.55) PRKCQPRKCDCYP3A4CYP2D6CYP2C9
SCHEMBL3986879 0.91 PRKCQ (0.56) PRKCQPRKCDCYP3A4CYP2D6CYP2C9
SCHEMBL3993017 0.91 PRKCQ (0.56) PRKCQPRKCDCYP3A4CYP2D6CYP2C9
SCHEMBL13993299 0.91 PRKCQ (0.56) PRKCQPRKCDCYP3A4CYP2D6CYP2C9
SCHEMBL13993300 0.91 PRKCQ (0.56) PRKCQPRKCDCYP3A4CYP2D6CYP2C9
SCHEMBL13846563 0.86 PRKCQ (0.60) PRKCQPRKCDCYP3A4CYP2D6CYP2C9
SCHEMBL13846553 0.86 PRKCQ (0.60) PRKCQPRKCDCYP3A4CYP2D6CYP2C9
SCHEMBL3986930 0.86 PRKCQ (0.72) PRKCQPRKCDCYP3A4CYP2D6CYP2C9
SCHEMBL3985216 0.86 PRKCQ (0.62) PRKCQPRKCDCYP3A4CYP2D6CYP2C9
SCHEMBL3993191 0.86 PRKCQ (0.72) PRKCQPRKCDCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866286-B1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-27 — — EP disclosed
US-7468382-B2 Pyridine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-23 — — US disclosed
EP-1866286-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-12-19 — — EP disclosed
WO-2006105023-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 — — WO disclosed
US-20060217417-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 — — 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-20060217417-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCQ, PRKCH, PRKCZ PRKCQ 1/4885PRKCD 8/4885CYP3A4 1870/4885

“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.