Sugi Predict

Sugi Predict / Compounds / SCHEMBL4487480

SCHEMBL4487480

SCHEMBL4487480

Cc1ccc(F)c(CNc2nc(N)c([N+](=O)[O-])c(C[C@H]3CC[C@H](N)CC3)n2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ CD38 P28907 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ XBP1 P17861 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL3820875 0.93 PRKCQ (0.42) MAPTGSK3AGSK3BCYP1A2CYP3A4
SCHEMBL3816362 0.85 PRKCQ (0.44) MAPTGSK3AGSK3BCYP3A4CYP2C9
SCHEMBL4470008 0.84 PRKCQ (0.42) MAPTGSK3AGSK3BPKMTDP1
SCHEMBL4479327 0.83 PRKCQ (0.42) MAPTGSK3AGSK3BCYP1A2PKM
SCHEMBL4483283 0.82 PRKCQ (0.42) MAPTGSK3AGSK3BCYP1A2PKM
SCHEMBL4472815 0.82 PRKCQ (0.41) MAPTGSK3AGSK3BPKMTDP1
SCHEMBL4480659 0.82 CYP1A2 (0.42) MAPTGSK3AGSK3BCYP1A2CYP3A4
SCHEMBL4479865 0.82 PKM (0.43) MAPTGSK3AGSK3BCYP1A2CYP3A4
SCHEMBL4479339 0.81 MAPT (0.42) MAPTGSK3AGSK3BCYP1A2CYP3A4
SCHEMBL3817319 0.81 PRKCQ (0.39) MAPTGSK3AGSK3BCYP1A2CYP3A4

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 6 patents. 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 claimed
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
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 MAPT 3483/4885GSK3A 68/4885GSK3B 64/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885GSK3A 68/4885GSK3B 64/4885

“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.