SCHEMBL15868133

SCHEMBL15868133

Cc1ccc(-c2ncco2)cc1-c1cc(C(=O)O)nn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ GAA P10253 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ APOBEC3A P31941 2/20 0.43
▸ IL2 P60568 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ ESRRA P11474 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ PLA2G10 O15496 1/20 0.37
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL15868154 0.86 FAAH (0.43) BRD4KDM4EIL2SMN1; SMN2
SCHEMBL15861810 0.81 IL2 (0.54) BRD4KDM4EIL2P2RX7SMN1; SMN2
SCHEMBL15868165 0.80 PPARG (0.43) KDM4EALDH1A1GAAPOLBAPOBEC3A
SCHEMBL15861739 0.79 IL2 (0.46) BRD4KDM4EIL2P2RX7SMN1; SMN2
SCHEMBL15868125 0.77 PTGDR2 (0.42) KDM4EALDH1A1GAAPOLBAPOBEC3A
SCHEMBL15884070 0.77 BRD4 (0.41) BRD4IL2CCNCCDK8KDM4C
SCHEMBL17319157 0.75 MMP2 (0.43) BRD4POLBTDP1P2RX7
SCHEMBL15869831 0.74 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1PPP1CASMN1; SMN2
SCHEMBL15884046 0.72 SCN9A (0.41) BRD4KDM4EALDH1A1POLBMGLL
SCHEMBL3375921 0.72 BRD4 (0.48) BRD4IL2MCL1LTA4H

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-9206136-B2 Pyrazolyl-based carboxamides I Grünenthal GmbH (DE) 2015-12-08 — — US disclosed
US-9206136-B2 Pyrazolyl-based carboxamides I Grünenthal GmbH (DE) 2015-12-08 — — US disclosed
WO-2014108337-A1 PYRAZOLYL-BASED CARBOXAMIDES I AS CRAC CHANNEL INHIBITORS Grünenthal GmbH (DE) 2014-07-17 — — WO disclosed
US-20140194443-A1 Pyrazolyl-Based Carboxamides I Grünenthal GmbH (DE) 2014-07-10 — — 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-20140194443-A1 Pyrazolyl-Based Carboxamides I AADAC, HDAC3, NLRP3 BRD4 74/4885KDM4E 2094/4885ALDH1A1 1740/4885

“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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