SCHEMBL14705597

SCHEMBL14705597

O=C(O)c1sc(Br)nc1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ DHODH Q02127 2/20 0.46
▸ PTGDR2 Q9Y5Y4 6/20 0.46
▸ CDH1 P12830 1/20 0.45
▸ APC P25054 1/20 0.45
▸ CTNNB1 P35222 1/20 0.45
▸ TCF7L2 Q9NQB0 1/20 0.45
▸ CDC7 O00311 1/20 0.44
▸ DBF4 Q9UBU7 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL11286855 0.85 SMN1; SMN2 (0.54) KDM4ERAB9ANPC1POLBSMN1; SMN2
SCHEMBL5816209 0.84 CDC7 (0.59) KDM4ERAB9ANPC1POLBSMN1; SMN2
SCHEMBL17377335 0.83 KDM4E (0.53) KDM4ERAB9ANPC1POLBSMN1; SMN2
SCHEMBL14705598 0.83 ALOX5 (0.47) KDM4ENPC1SMN1; SMN2PTGDR2CDC7
SCHEMBL1398715 0.82 PTGDR2 (0.62) KDM4ERAB9ANPC1POLBSMN1; SMN2
SCHEMBL7051370 0.81 ALOX5 (0.54) KDM4EPOLBPTGDR2ALDH1A1HPGD
SCHEMBL4485015 0.80 CDC7 (0.71) KDM4ERAB9ANPC1POLBSMN1; SMN2
SCHEMBL5525665 0.78 RAB9A (0.51) KDM4ERAB9ANPC1POLBSMN1; SMN2
SCHEMBL952934 0.78 CDC7 (0.50) KDM4ERAB9ANPC1SMN1; SMN2DHODH
SCHEMBL11746593 0.77 PTGS2 (0.49) KDM4ERAB9ANPC1SMN1; SMN2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739143-B1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5- MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS FLYNN GARY A (US) 2018-07-11 — — EP disclosed
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 — — US disclosed
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-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-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-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
WO-2013022766-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5- MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS FLYNN GARY A (US) 2013-02-14 — — WO 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 (3 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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 KDM4E 941/4885RAB9A 842/4885NPC1 2492/4885
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 KDM4E 941/4885RAB9A 842/4885NPC1 2492/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 KDM4E 941/4885RAB9A 842/4885NPC1 2492/4885

“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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