SCHEMBL2857962

SCHEMBL2857962

NC(=O)CNc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
PKM P14618 2/20 0.53
CXCR4 P61073 1/20 0.52
FABP1 P07148 1/20 0.50
FABP6 P51161 1/20 0.50
FDPS P14324 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
CYP2D6 P10635 1/20 0.47
CYP1A2 P05177 1/20 0.47
NOS1 P29475 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL9722609 0.85 GAA (0.58) GAANPC1RAB9APKMCXCR4
SCHEMBL534155 0.83 GAA (0.56) GAANPC1RAB9APKMCXCR4
Hydrochloric Acid SCHEMBL360682 0.83 GAA (0.56) GAANPC1RAB9APKMCXCR4
SCHEMBL28643003 0.82 GAA (0.56) GAANPC1RAB9APKMCXCR4
SCHEMBL6302594 0.82 CYP1A2 (0.53) GAANPC1RAB9APKMCXCR4
SCHEMBL13589538 0.81 GAA (0.55) GAANPC1RAB9APKMCXCR4
SCHEMBL28664986 0.80 GAA (0.53) GAANPC1RAB9APKMCXCR4
SCHEMBL22338218 0.79 GAA (0.56) GAANPC1RAB9APKMCXCR4
SCHEMBL7436411 0.79 GAA (0.51) GAANPC1RAB9APKMCXCR4
SCHEMBL15785585 0.78

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-10-22 US claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP claimed
US-7163941-B2 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-01-16 US claimed
EP-1615921-A2 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP claimed
US-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (DE) 2005-06-16 US claimed
WO-2004085436-A2 PYRIDO[2,3-D]PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO claimed
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO claimed
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-08-19 US disclosed
CN-112755193-A Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof 德玛医药 2021-05-07 CN disclosed
EP-2872161-B1 DIANHYDROGALACTITOL FOR USE IN TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS DEL MAR PHARMACEUTICALS (CA) 2020-12-16 EP disclosed
US-20150182490-A1 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2015-07-02 US disclosed
EP-2872161-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF Del Mar Pharmaceuticals (CA) 2015-05-20 EP disclosed
WO-2004085436-A2 PYRIDO[2,3-D]PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO disclosed
EP-0578745-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1994-01-19 EP disclosed
WO-1992017490-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1992-10-15 WO disclosed
EP-0497835-A1 METHOD FOR TREATING HIV AND OTHER RETROVIRUSES AND COMPOUNDS USEFUL THEREFOR THE UPJOHN COMPANY (US) 1992-08-12 EP disclosed
WO-1991006561-A1 METHOD FOR TREATING HIV AND OTHER RETROVIRUSES AND COMPOUNDS USEFUL THEREFOR THE UPJOHN COMPANY (US) 1991-05-16 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 (5 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-20150182490-A1 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF WHR1, AIPL1, TDP1 GAA 1913/4885NPC1 4189/4885RAB9A 4675/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 GAA 1786/4885NPC1 4268/4885RAB9A 4685/4885
US-20050130984-A1 Pyrido[2,3-d]pyrimidin-7-carboxylic acid derivatives, their manufacture and use as pharmaceutical agents LCK, TYRO3, ABL1 GAA 958/4885NPC1 4690/4885RAB9A 2884/4885
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS MAPK15, MOK, MAPK14 GAA 4409/4885NPC1 4705/4885RAB9A 1368/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 GAA 1611/4885NPC1 2242/4885RAB9A 2013/4885

“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.