SCHEMBL9667178

SCHEMBL9667178

Cc1cc2nc(CS)[nH]c2cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
MEN1 O00255 2/20 1.00
MAPT P10636 2/20 1.00
ATM Q13315 2/20 1.00
PSMD14 O00487 1/20 1.00
MMP2 P08253 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
FABP6 P51161 1/20 0.53
KDM4E B2RXH2 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
MCL1 Q07820 1/20 0.52
F10 P00742 1/20 0.49
PDE10A Q9Y233 1/20 0.49
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
POLB P06746 1/20 0.43
METAP1 P53582 2/20 0.41
METAP2 P50579 1/20 0.41

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
SCHEMBL30701865 0.84 KMT2A (0.72) KMT2AMEN1MAPTATMPSMD14
SCHEMBL7853107 0.84 KMT2A (0.72) KMT2AMEN1MAPTATMPSMD14
SCHEMBL8845396 0.82 KMT2A (0.70) KMT2AMEN1MAPTATMPSMD14
SCHEMBL9999681 0.81 KMT2A (0.68) KMT2AMEN1MAPTATMPSMD14
SCHEMBL11222676 0.81 KMT2A (0.68) KMT2AMEN1MAPTATMPSMD14
SCHEMBL3312289 0.81 KMT2A (0.68) KMT2AMEN1MAPTATMPSMD14
SCHEMBL2792513 0.81 KMT2A (0.68) KMT2AMEN1MAPTATMPSMD14
SCHEMBL3011310 0.79 KMT2A (0.66) KMT2AMEN1MAPTATMPSMD14
SCHEMBL12837407 0.79 KMT2A (0.66) KMT2AMEN1MAPTATMPSMD14
SCHEMBL1973001 0.78 KMT2A (0.64) KMT2AMEN1MAPTATMPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2724156-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE The Jackson Laboratory (US) 2014-04-30 EP claimed
CN-103765212-A Methods and compositions for treating cancer and autoimmune diseases JACKSON LAB 2014-04-30 CN claimed
WO-2013003112-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-01-03 WO claimed
US-10207988-B2 Methods and compositions for treatment of cancer and autoimmune disease THE JACKSON LABORATORY (US) 2019-02-19 US disclosed
US-10207988-B2 Methods and compositions for treatment of cancer and autoimmune disease THE JACKSON LABORATORY (US) 2019-02-19 US disclosed
EP-2724156-B1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE JACKSON LAB (US) 2017-08-16 EP disclosed
EP-2724156-B1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE JACKSON LAB (US) 2017-08-16 EP disclosed
EP-2724156-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE The Jackson Laboratory (US) 2014-04-30 EP disclosed
CN-103765212-A Methods and compositions for treating cancer and autoimmune diseases JACKSON LAB 2014-04-30 CN disclosed
US-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-07-18 US disclosed
US-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-07-18 US disclosed
WO-2013003112-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-01-03 WO disclosed
WO-2013003112-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-01-03 WO disclosed
EP-0234980-B1 2-BENZIMIDAZOLYLALKYLTHIO (OR SULFINYL OR SULFONYL) DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-09-16 EP disclosed
US-4791114-A GASTROINTESTINAL DISORDERS; ANTISECRETORY AGENTS; CYTOPROTECTIVE AGENTS 501 Laboratorios Del, Dr. Esteve (ES) 1988-12-13 US disclosed
EP-0234980-A1 2-Benzimidazolylalkylthio (or sulfinyl or sulfonyl) derivatives, their preparation and their use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1987-09-02 EP 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 (2 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-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE BAK1, SSB, MRE11 KMT2A 2241/4885MEN1 1722/4885MAPT 3931/4885
US-10207988-B2 Methods and compositions for treatment of cancer and autoimmune disease BAK1, SSB, MRE11 KMT2A 2241/4885MEN1 1722/4885MAPT 3931/4885

“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.