SCHEMBL6878439

SCHEMBL6878439

CN(C)CCN.COc1ccccc1Oc1nc(NCCN(C)C)ncc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.43
ZAP70 P43403 1/20 0.42
SELP P16109 1/20 0.41
TYRO3 Q06418 1/20 0.41
CSF1R P07333 3/20 0.41
HTT P42858 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
LCK P06239 1/20 0.38
PTK2 Q05397 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CASR P41180 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
SCHEMBL6879926 0.95 SELP (0.44) SYKZAP70SELPTYRO3CSF1R
SCHEMBL6878696 0.85 RAD52 (0.42) SYKSELPTYRO3LCK
SCHEMBL6878697 0.84 SCN9A (0.45) SYKCSF1R
SCHEMBL7140289 0.81 SYK (0.40) SYKSELPTYRO3CSF1RP2RX3
SCHEMBL6868453 0.80 HTR7 (0.41) SYKSELPTYRO3P2RX3P2RX2
SCHEMBL6880040 0.79 SCN9A (0.48) SYK
SCHEMBL6016404 0.76 SYK (0.45) SYKZAP70JAK2JAK3JAK1
SCHEMBL6016318 0.75 MAPK14 (0.42) SYKZAP70CSF1R
SCHEMBL6878698 0.75 SCN9A (0.43) SYKP2RX3P2RX2
SCHEMBL6861936 0.74 HTR7 (0.45) SELPTYRO3P2RX3P2RX2

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-6787539-B2 HAS ACTIVITY AS AN ANTAGONIST TO NEUROKININ 1 RECEPTORS; FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA (BPH) HOFFMANN-LA ROCHE INC. 2004-09-07 US disclosed
EP-1339698-A2 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-03 EP disclosed
US-20020099207-A1 2,4,5,-trisubstituted pyrimidine derivatives HOFFMANN-LA ROCHE INC. 2002-07-25 US disclosed
WO-2002042280-A2 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 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-20020099207-A1 2,4,5,-trisubstituted pyrimidine derivatives TACR1, TACR2, P2RY2 SYK 872/4885ZAP70 1746/4885SELP 865/4885

“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.