SCHEMBL2998488

SCHEMBL2998488

O=C1Nc2ccccc2/C1=C\c1c[nH]cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.65
TLK2 Q86UE8 4/20 0.55
MAPT P10636 3/20 0.55
CDK5 Q00535 2/20 0.55
PTK2B Q14289 1/20 0.55
CDK5R1 Q15078 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 2/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDR P35968 5/20 0.51
RET P07949 3/20 0.51
FLT3 P36888 3/20 0.51
PDGFRB P09619 3/20 0.51
PLK4 O00444 2/20 0.51
PLK1 P53350 2/20 0.51
JAK3 P52333 2/20 0.51
SYK P43405 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL5728250 1.00 GSK3B (0.65) GSK3BTLK2MAPTCDK5PTK2B
SCHEMBL2998484 1.00 GSK3B (0.65) GSK3BTLK2MAPTCDK5PTK2B
SCHEMBL5849994 0.81 RET (0.55) GSK3BTLK2CDK5KDRRET
SCHEMBL5367197 0.81 MAPT (0.52) GSK3BTLK2MAPTCDK5CDK5R1
SCHEMBL5727946 0.81 PDPK1 (0.55) GSK3BMAPTKDRRETFLT3
SCHEMBL14519137 0.81 LRRK2 (0.58) RETPDGFRBRPS6KA3LRRK2
SCHEMBL7878729 0.81 LRRK2 (0.58) RETPDGFRBRPS6KA3LRRK2
SCHEMBL5727942 0.81 PDPK1 (0.55) GSK3BMAPTKDRRETFLT3
SCHEMBL5728661 0.81 RET (0.55) GSK3BTLK2CDK5KDRRET
SCHEMBL11748696 0.79 GSK3B (1.00) GSK3BTLK2MAPTPTK2BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170172989-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2017-06-22 US claimed
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2010-07-08 US claimed
EP-2114403-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS Bayer Healthcare, LLC (US) 2009-11-11 EP claimed
WO-2008089388-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2008-07-24 WO claimed
US-20170172989-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2017-06-22 US disclosed
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2010-07-08 US disclosed
EP-2114403-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS Bayer Healthcare, LLC (US) 2009-11-11 EP disclosed
WO-2008089388-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2008-07-24 WO disclosed
WO-2008027013-A2 COMBINATION OF MTOR ANTAGONIST AND ANGIOGENESIS INHIBITOR FOR THE TREATMENT OF CANCER NATIONAL CANCER CENTRE (SG) 2008-03-06 WO disclosed
WO-2007059155-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-24 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 (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-20170172989-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS CDK4, TP53, ABCC1 GSK3B 1254/4885TLK2 1488/4885MAPT 431/4885
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS CDK4, TP53, ABCC1 GSK3B 1254/4885TLK2 1488/4885MAPT 431/4885

“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.