SCHEMBL296599

SCHEMBL296599

CCOC(=O)c1cc(N(C)c2c(-c3ccc(F)cn3)noc2C)nn1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.41
SLC34A1 Q06495 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.38
JMJD6 Q6NYC1 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
P2RY12 Q9H244 1/20 0.35

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
SCHEMBL296027 0.88 GABRA5 (0.43) GABRA5SLC34A1
SCHEMBL295361 0.85 ALDH1A1 (0.41) GABRA5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL297419 0.85 GABRA5 (0.42) GABRA5SLC34A1
SCHEMBL298195 0.83 GABRA5 (0.46) GABRA5
SCHEMBL296673 0.82 GABRA5 (0.41) GABRA5
SCHEMBL297987 0.80 GABRA5 (0.38) GABRA5SLC34A1
SCHEMBL296857 0.80 GABRA5 (0.43) GABRA5
SCHEMBL296600 0.80 GABRA5 (0.49) GABRA5SLC34A1NPC1RAB9ASMN1; SMN2
SCHEMBL296607 0.79 GABRA5 (0.46) GABRA5
SCHEMBL107805 0.74 GABRA5 (0.53) GABRA5NPC1SMN1; SMN2KDM4ELMNA

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-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 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-20100286115-A1 PYRAZOLES GABRA5, GABRA1, GABRA3 GABRA5 1/4885SLC34A1 1774/4885NPC1 790/4885

“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.