SCHEMBL5232109

SCHEMBL5232109

CCOC(=O)c1cn(-c2ccc3[nH]ccc3c2)nc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.41
NPC1 O15118 5/20 0.35
KDM4E B2RXH2 1/20 0.35
MAOA P21397 1/20 0.34
AURKA O14965 1/20 0.34
HPGD P15428 1/20 0.34
NAMPT P43490 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 4/20 0.33
CA9 Q16790 4/20 0.33
RAB9A P51151 2/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL5232116 1.00 KDR (0.41) KDRNPC1KDM4EMAOAAURKA
SCHEMBL5238149 0.90 JAK2 (0.40) KDRNPC1ALDH1A1SMN1; SMN2JAK2
SCHEMBL5238138 0.90 JAK2 (0.40) KDRNPC1ALDH1A1SMN1; SMN2JAK2
SCHEMBL5230838 0.88 ABL1 (0.34) NAMPT
SCHEMBL5230832 0.88 ABL1 (0.34) NAMPT
SCHEMBL5652329 0.85 RAB9A (0.46) KDRNPC1KDM4EHPGDALDH1A1
SCHEMBL5652334 0.85 RAB9A (0.46) KDRNPC1KDM4EHPGDALDH1A1
SCHEMBL5235187 0.84 HTT (0.39) NPC1KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL5235176 0.84 HTT (0.39) NPC1KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL5238262 0.84 NPC1 (0.39) NPC1KDM4EHPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 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-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L KDR 1837/4885NPC1 352/4885KDM4E 2215/4885

“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.