SCHEMBL7795007

SCHEMBL7795007

CCCCSc1ncc2cc(C)c(=O)[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HASPIN Q8TF76 3/20 0.40
▸ KDM6B O15054 2/20 0.40
▸ KDM4A O75164 2/20 0.40
▸ KDM4D Q6B0I6 2/20 0.40
▸ KDM3B Q7LBC6 2/20 0.40
▸ HIF1AN Q9NWT6 2/20 0.40
▸ KDM5B Q9UGL1 2/20 0.40
▸ KDM2A Q9Y2K7 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL24669791 0.86 MAPT (0.39) RAB9ASMN1; SMN2ALDH1A1HASPINKDM4E
SCHEMBL14280046 0.84 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL5262113 0.79 MEN1 (0.39) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL7794896 0.78 HASPIN (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL26039915 0.70 KDM6B (0.65) SMN1; SMN2ALDH1A1KDM6BKDM4AKDM4D
SCHEMBL22557893 0.69 KDM6B (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7788353 0.69 NPC1 (0.41) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1444090 0.67 MEN1 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL19243087 0.66 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL3955881 0.66 XDH (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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-8404695-B2 Pyrimidinyl pyridone inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-03-26 — — US disclosed
US-8404695-B2 Pyrimidinyl pyridone inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-03-26 — — US disclosed
WO-2010046273-A2 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2010-04-29 — — WO disclosed
US-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK ROCHE PALO ALTO LLC 2010-04-22 — — US disclosed
US-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK ROCHE PALO ALTO LLC 2010-04-22 — — 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-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK MAP3K20, MAP3K6, MAP3K1 NPC1 3733/4885RAB9A 2501/4885SMN1; SMN2 2500/4885

“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.

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