Sugi Predict

Sugi Predict / Compounds / SCHEMBL4482286

SCHEMBL4482286

SCHEMBL4482286

Nc1nc(NCCc2cccc(Cl)c2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 6/20 0.43
▸ RECQL P46063 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ PRKCQ Q04759 4/20 0.42
▸ PKM P14618 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL3814004 0.93 PRKCQ (0.49) KMT2AMAPTRECQLBLMCDK5
SCHEMBL4490590 0.92 PRKCQ (0.49) KMT2AMAPTRECQLBLMCDK5
SCHEMBL5998038 0.89 PRKCQ (0.51) KMT2AMAPTBLMTDP1GSK3A
SCHEMBL4479341 0.89 KMT2A (0.57) KMT2AMAPTCDK5CDK5R1PRKCQ
SCHEMBL4467715 0.85 KMT2A (0.48) KMT2AMAPTPRKCQPKMMAPK1
SCHEMBL3816620 0.84 PRKCQ (0.58) KMT2AMAPTRECQLBLMCDK5
SCHEMBL4469214 0.84 KMT2A (0.46) KMT2AMAPTPRKCQPKMMAPK1
SCHEMBL4479093 0.84 PRKCQ (0.46) KMT2AMAPTRECQLBLMCDK5
SCHEMBL4491193 0.83 PRKCQ (0.48) KMT2AMAPTGSK3AGSK3BPRKCQ
SCHEMBL3821325 0.82 PRKCQ (0.49) KMT2AMAPTBLMCDK5CDK5R1

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
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 KMT2A 2429/4885MAPT 3483/4885RECQL 495/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH KMT2A 2429/4885MAPT 3483/4885RECQL 495/4885

“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.