SCHEMBL7552748

SCHEMBL7552748

c1ccc(Nc2nc(-c3ccc(-c4csc(Nc5ccccn5)n4)cc3)cs2)nc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 18/20 0.91
▸ RAB9A P51151 17/20 0.91
▸ MEN1 O00255 13/20 0.91
▸ KMT2A Q03164 13/20 0.91
▸ SMN1; SMN2 Q16637 7/20 0.88
▸ MAPT P10636 7/20 0.88
▸ NFKB1 P19838 4/20 0.88
▸ NFKB2 Q00653 4/20 0.88
▸ RELA Q04206 4/20 0.88
▸ MAPK1 P28482 3/20 0.88
▸ TP53 P04637 3/20 0.88
▸ LMNA P02545 2/20 0.88
▸ HTT P42858 1/20 0.80
▸ MECP2 P51608 1/20 0.77
▸ KCNN1 Q92952 1/20 0.77
▸ KCNN2 Q9H2S1 1/20 0.77
▸ MBD2 Q9UBB5 1/20 0.77
▸ KCNN3 Q9UGI6 1/20 0.77
▸ GAA P10253 3/20 0.77
▸ ALPL P05186 1/20 0.77

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
Bromide SCHEMBL7669000 0.98 NPC1 (0.88) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18029575 0.95 NPC1 (0.94) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29427807 0.95 NPC1 (0.94) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16217145 0.95 NPC1 (1.00) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18029541 0.94 NPC1 (0.94) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29427808 0.94 NPC1 (0.94) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12296219 0.94 NPC1 (1.00) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL24624830 0.93 NPC1 (0.79) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18029570 0.93 NPC1 (0.79) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18029509 0.93 NPC1 (0.79) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974795-B2 Anticancer agent composition CARNA BIOSCIENCES, INC. (JP) 2018-05-22 — — US claimed
US-20170065609-A1 ANTICANCER AGENT COMPOSITION CARNA BIOSCIENCES, INC. (JP) 2017-03-09 — — US claimed
EP-3100742-A1 ANTICANCER AGENT COMPOSITION Carna Biosciences Inc. (JP) 2016-12-07 — — EP claimed
US-6448272-B1 SUCH AS 1,4-BIS(2-PHENYLAMINO-4-THIAZOLYL)BENZENE; CANCER AND HYPERPROLIFERATIVE DISEASES. SMITHKLINE BEECHAM CORPORATION 2002-09-10 — — US claimed
EP-1146875-A4 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-05-02 — — EP claimed
EP-1146875-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-24 — — EP claimed
WO-2000033841-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-06-15 — — WO claimed
EP-3100742-B1 ANTICANCER AGENT COMPOSITION COMPRISING A CDC7 INHIBITOR AND A WEE1 INHIBITOR CARNA BIOSCIENCES INC (JP) 2020-05-20 — — EP disclosed
US-9974795-B2 Anticancer agent composition CARNA BIOSCIENCES, INC. (JP) 2018-05-22 — — US disclosed
US-20170065609-A1 ANTICANCER AGENT COMPOSITION CARNA BIOSCIENCES, INC. (JP) 2017-03-09 — — US disclosed
EP-3100742-A1 ANTICANCER AGENT COMPOSITION Carna Biosciences Inc. (JP) 2016-12-07 — — EP disclosed
US-6448272-B1 SUCH AS 1,4-BIS(2-PHENYLAMINO-4-THIAZOLYL)BENZENE; CANCER AND HYPERPROLIFERATIVE DISEASES. SMITHKLINE BEECHAM CORPORATION 2002-09-10 — — US disclosed
EP-1146875-A4 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-05-02 — — EP disclosed
EP-1146875-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-24 — — EP disclosed
WO-2000033841-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-06-15 — — 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-20170065609-A1 ANTICANCER AGENT COMPOSITION CDC7, CDC16, MCM7 NPC1 1997/4885RAB9A 3325/4885MEN1 673/4885

“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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