SCHEMBL19669150

SCHEMBL19669150

COC(=O)c1[nH]nnc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ GAA P10253 1/20 0.51
▸ GABRA1 P14867 1/20 0.49
▸ GABRG2 P18507 1/20 0.49
▸ GABRB3 P28472 1/20 0.49
▸ GABRA5 P31644 1/20 0.49
▸ GABRA3 P34903 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ HPGDS O60760 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ THRB P10828 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
SCHEMBL19715740 0.84 RAB9A (0.48) ALDH1A1SMN1; SMN2LMNAMAPK1RAB9A
SCHEMBL9985730 0.83 HPGDS (0.61) ALDH1A1SMN1; SMN2GAALMNAMAPK1
SCHEMBL9949375 0.83 MAPT (0.59) ALDH1A1SMN1; SMN2GAALMNARAB9A
SCHEMBL15947000 0.81 RAB9A (0.45) ALDH1A1SMN1; SMN2GAALMNARAB9A
SCHEMBL15946998 0.81 KDM4E (0.46) ALDH1A1GAALMNAMAPK1RAB9A
SCHEMBL23294646 0.80 GAA (0.38) ALDH1A1SMN1; SMN2GAAGABRA1GABRG2
Hydrochloric Acid SCHEMBL3527570 0.80 KDM4E (0.44) ALDH1A1GAALMNAMAPK1RAB9A
SCHEMBL23294375 0.78 MAP2K4 (0.45) ALDH1A1GAALMNAMAPK1RAB9A
SCHEMBL23294477 0.78 MAP2K4 (0.45) ALDH1A1GAALMNAMAPK1RAB9A
SCHEMBL7672968 0.78 RAB9A (0.45) ALDH1A1SMN1; SMN2GAALMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 ALDH1A1 3761/4885SMN1; SMN2 3035/4885GAA 1799/4885

“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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