SCHEMBL16245709

SCHEMBL16245709

Nc1cnc(Cl)nc1Nc1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.51
▸ MAPT P10636 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ BACE1 P56817 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ ATM Q13315 2/20 0.40
▸ PIN1 Q13526 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL17831344 0.88 MAPT (0.51) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL18869082 0.86 RAB9A (0.49) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL17827730 0.84 PIN1 (0.58) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL16246107 0.77 MEN1 (0.41) RAB9AMAPTHPGDBACE1NPC1
SCHEMBL18869374 0.76 JAK2 (0.44) MAPTPIN1KMT2AMEN1L3MBTL1
SCHEMBL8487005 0.76 RAB9A (0.77) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL16012041 0.76 SYK (0.44) KMT2AMEN1
SCHEMBL16012129 0.75 SYK (0.44) RAB9AMAPTSMN1; SMN2NPC1KMT2A
Hydrochloric Acid SCHEMBL8483511 0.75 RAB9A (0.74) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL19691830 0.73 RAB9A (0.77) RAB9AMAPTSMN1; SMN2HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9861635-B2 Macrocycles as kinase inhibitors MERCK PATENT GMBH (DE) 2018-01-09 — — US disclosed
US-9861635-B2 Macrocycles as kinase inhibitors MERCK PATENT GMBH (DE) 2018-01-09 — — US disclosed
EP-2994471-B1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2017-05-17 — — EP disclosed
EP-2994471-B1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2017-05-17 — — EP disclosed
US-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 — — US disclosed
US-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 — — US disclosed
US-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 — — US disclosed
EP-2994471-A1 MACROCYCLES AS KINASE INHIBITORS Merck Patent GmbH (DE) 2016-03-16 — — EP disclosed
WO-2014180524-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-11-13 — — 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 (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-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS EIF2AK4, CDK2, CDK1 RAB9A 2540/4885MAPT 4608/4885SMN1; SMN2 3508/4885

“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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