SCHEMBL13232027

SCHEMBL13232027

Cn1cnc2ccc(C(C)(C)C)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.55
IP6K1 Q92551 1/20 0.54
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
ACVR1 Q04771 2/20 0.50
HSD17B10 Q99714 1/20 0.49
SYK P43405 3/20 0.45
TGFBR1 P36897 3/20 0.43
BRAF P15056 3/20 0.42
ACVR1B P36896 1/20 0.42
DDR1 Q08345 3/20 0.41
RAF1 P04049 1/20 0.41
YES1 P07947 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL25111597 0.87 L3MBTL1 (0.46) L3MBTL1KDM4EIP6K1ALDH1A1HPGD
SCHEMBL12160611 0.86 L3MBTL1 (0.55) L3MBTL1KDM4EIP6K1ALDH1A1HPGD
SCHEMBL6119474 0.83 DDR1 (0.40) L3MBTL1KDM4EIP6K1ALDH1A1HPGD
SCHEMBL14072358 0.80 USP5 (0.43) L3MBTL1KDM4ESYKDDR1MEN1
SCHEMBL11922138 0.78 SYK (0.35) L3MBTL1KDM4EIP6K1ALDH1A1HPGD
SCHEMBL29607244 0.78 L3MBTL1 (0.60) L3MBTL1KDM4EIP6K1ALDH1A1HPGD
SCHEMBL7600132 0.78 L3MBTL1 (0.60) L3MBTL1KDM4EIP6K1ALDH1A1HPGD
SCHEMBL3230513 0.77 L3MBTL1 (0.59) L3MBTL1KDM4EIP6K1ALDH1A1HPGD
SCHEMBL9919060 0.77 L3MBTL1 (0.59) L3MBTL1KDM4EIP6K1ALDH1A1HPGD
SCHEMBL422211 0.77 L3MBTL1 (0.59) L3MBTL1KDM4EIP6K1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 US disclosed
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 US disclosed
US-20100166819-A1 Transforming Growth Factor Modulators BIOGEN IDEC MA INC. A CORPORATION 2010-07-01 US disclosed
US-20100166819-A1 Transforming Growth Factor Modulators BIOGEN IDEC MA INC. A CORPORATION 2010-07-01 US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 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 (4 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-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 L3MBTL1 4194/4885KDM4E 941/4885IP6K1 324/4885
US-20100166819-A1 Transforming Growth Factor Modulators ACVR1, TGFBR1, ACVRL1 L3MBTL1 2551/4885KDM4E 904/4885IP6K1 1836/4885
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 L3MBTL1 4791/4885KDM4E 693/4885IP6K1 3691/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 L3MBTL1 4194/4885KDM4E 941/4885IP6K1 324/4885

“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.