SCHEMBL4580980

SCHEMBL4580980

CN1CCN(c2ccnc(Cl)n2)C(c2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.38
RPS6KA5 O75582 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
IDH1 O75874 2/20 0.33
FGFR3 P22607 1/20 0.32
OGA O60502 1/20 0.32

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
SCHEMBL4582418 0.81 CLPP (0.38) TRPV1TP53MDM2IDH1
SCHEMBL4591653 0.79 HDAC1 (0.40) TRPV1RPS6KA5TP53MDM2IDH1
SCHEMBL4582157 0.74 TP53 (0.33) TRPV1RPS6KA5TP53MDM2IDH1
SCHEMBL28183425 0.69 QPCT (0.45) RPS6KA5TP53MDM2IDH1
SCHEMBL4580268 0.69 NUDT1 (0.46) ALDH1A1MAPTHTTKMT2AIDH1
SCHEMBL30463156 0.69 QPCT (0.45) RPS6KA5TP53MDM2IDH1
SCHEMBL28183428 0.69 QPCT (0.45) RPS6KA5TP53MDM2IDH1
SCHEMBL30754606 0.69 PRCP (0.49) KMT2A
SCHEMBL19402116 0.69 IDH1 (0.47) TRPV1RPS6KA5IDH1OGA
SCHEMBL4581477 0.68 NR3C2 (0.54) MDM2IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US disclosed
EP-1448555-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES Celltech R & D Limited (GB) 2004-08-25 EP disclosed
WO-2003045941-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES CELLTECH R & D LIMITED (GB) 2003-06-05 WO 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-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 TRPV1 1367/4885RPS6KA5 963/4885TP53 626/4885

“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.