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SCHEMBL14949368

SCHEMBL14949368

CCc1cc(Oc2cccc(-c3nnc(Nc4cccc(C)c4)[nH]3)c2)nc(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HEXA P06865 1/20 0.33
▸ HEXB P07686 1/20 0.33
▸ TP53 P04637 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ NUDT1 P36639 1/20 0.32
▸ VSIR Q9H7M9 1/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ CDK8 P49336 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31

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
SCHEMBL14949288 0.92 RAB9A (0.39) RAB9ANPC1NOD1SMN1; SMN2HEXA
SCHEMBL14949331 0.89 RAB9A (0.39) RAB9ANPC1NOD1SMN1; SMN2TP53
SCHEMBL14949316 0.89 RAB9A (0.36) RAB9ANPC1NOD1SMN1; SMN2TP53
SCHEMBL14949332 0.89 RAB9A (0.38) RAB9ANPC1NOD1SMN1; SMN2TP53
SCHEMBL12336577 0.88 PDGFRB (0.41) MAPTEGFRPDGFRBKDRADORA2A
SCHEMBL14949345 0.85 NPC1 (0.34) RAB9ANPC1NOD1SMN1; SMN2TP53
SCHEMBL14949359 0.85 KDR (0.35) RAB9ANPC1NOD1TP53MAPT
SCHEMBL14949309 0.84 ROCK1 (0.40) RAB9ANPC1NOD1EGFRPDGFRB
SCHEMBL14949349 0.83 NPC1 (0.32) RAB9ANPC1NOD1TP53MAPT
SCHEMBL14949352 0.83 PDGFRB (0.35) RAB9ANPC1NOD1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 — — US disclosed
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 — — US disclosed
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2015-06-11 — — US disclosed
US-8957216-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-02-17 — — US disclosed
US-20130123284-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS INC (US) 2013-05-16 — — 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 (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-20130123284-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION MAP4K2, MAP3K20, MAP3K19 RAB9A 1281/4885NPC1 3866/4885NOD1 4086/4885
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 RAB9A 1281/4885NPC1 3866/4885NOD1 4086/4885
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 RAB9A 1281/4885NPC1 3866/4885NOD1 4086/4885

“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.