SCHEMBL20143328

SCHEMBL20143328

C=C/C=N\C(=C/C)Nc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.45
▸ RAB9A P51151 8/20 0.45
▸ PKM P14618 3/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ PIM1 P11309 1/20 0.40

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
SCHEMBL20143330 0.76 TGM2 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL19822231 0.75 NPC1 (0.47) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL22788068 0.72 NPC1 (0.44) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL23046369 0.71 KDM4E (0.44) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL20143351 0.71 NPC1 (0.46) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL21583063 0.69 NPC1 (0.44) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL1831591 0.68 NPC1 (0.55) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL16657872 0.68 RAB9A (0.50) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL6255733 0.68 NPC1 (0.59) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL1185009 0.67 NPC1 (0.63) NPC1RAB9APKMSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239444-A1 COMPOUNDS USEFUL FOR TREATING CANCER ABIVAX (FR) 2020-07-30 — — US disclosed
US-10717724-B2 Compounds useful for treating cancer ABIVAX (FR) 2020-07-21 — — US disclosed
US-20180222888-A1 COMPOUNDS USEFUL FOR TREATING CANCER ABIVAX (FR) 2018-08-09 — — US disclosed
US-9969715-B2 Compounds useful for treating cancer ABIVAX (FR) 2018-05-15 — — 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-20180222888-A1 COMPOUNDS USEFUL FOR TREATING CANCER PRMT7, PRMT6, RRM2 NPC1 1881/4885RAB9A 2467/4885PKM 3074/4885
US-10717724-B2 Compounds useful for treating cancer PRMT7, PRMT6, RRM2 NPC1 1881/4885RAB9A 2467/4885PKM 3074/4885
US-20200239444-A1 COMPOUNDS USEFUL FOR TREATING CANCER PRMT7, PRMT6, RRM2 NPC1 2247/4885RAB9A 2637/4885PKM 2818/4885

“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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