SCHEMBL975002

SCHEMBL975002

NC(=O)c1[nH]c2cc(Br)cc(F)c2c1N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 5/20 0.50
DGAT1 O75907 1/20 0.40
MAP2 P11137 5/20 0.35
EGLN1 Q9GZT9 1/20 0.32
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
MAP2K1 Q02750 1/20 0.32
PDPK1 O15530 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR3 P22607 1/20 0.30

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
SCHEMBL13504588 0.78 GPR17 (0.41) GPR17DGAT1EGLN1
SCHEMBL976253 0.71 GPR17 (0.48) GPR17DGAT1PDPK1
SCHEMBL31219036 0.70 MAP2 (0.47) MAP2PDPK1
SCHEMBL975904 0.68 RXFP1 (0.50) MAP2PDPK1
SCHEMBL13362737 0.67 DGAT1 (0.58) DGAT1PKN1PKN2MAP2K1HDAC1
SCHEMBL29062814 0.67 GPR17 (0.47) GPR17DGAT1MAP2
SCHEMBL1317647 0.66 DGAT1 (0.55) GPR17DGAT1MAP2K1HDAC1HDAC6
SCHEMBL17362716 0.65 MAP2K1 (0.40) DGAT1MAP2MAP2K1PDPK1
SCHEMBL23723698 0.64 DGAT1 (0.48) DGAT1MAP2K1HDAC1HDAC6
SCHEMBL58096 0.62 HDAC1 (0.44) DGAT1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664233-B2 Substituted 5H-pyrimido[5,4-B]indoles, method for the production thereof and use thereof for treating non-solid malignant tumors of the blood-producing system THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2014-03-04 US disclosed
US-8664233-B2 Substituted 5H-pyrimido[5,4-B]indoles, method for the production thereof and use thereof for treating non-solid malignant tumors of the blood-producing system THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2014-03-04 US disclosed
US-8664233-B2 Substituted 5H-pyrimido[5,4-B]indoles, method for the production thereof and use thereof for treating non-solid malignant tumors of the blood-producing system THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2014-03-04 US disclosed
EP-2104675-B1 SUBSTITUTED 5H-PYRIMIDOL[5,4-B]INDOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR TREATING NON-SOLID MALIGNANT TUMORS OF THE BLOOD-PRODUCING SYSTEM MEDICINES CO LEIPZIG GMBH (DE) 2012-10-31 EP disclosed
US-20110021511-A1 SUBSTITUTED 5H-PYRIMIDO[5,4-B]INDOLES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING NON-SOLID MALIGNANT TUMORS OF THE BLOOD-PRODUCING SYSTEM THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-27 US disclosed
US-20110021511-A1 SUBSTITUTED 5H-PYRIMIDO[5,4-B]INDOLES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING NON-SOLID MALIGNANT TUMORS OF THE BLOOD-PRODUCING SYSTEM THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-27 US disclosed
US-20110021511-A1 SUBSTITUTED 5H-PYRIMIDO[5,4-B]INDOLES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING NON-SOLID MALIGNANT TUMORS OF THE BLOOD-PRODUCING SYSTEM THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-27 US disclosed
WO-2008077631-A1 SUBSTITUTED 5H-PYRIMIDOL[5,4-B]INDOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR TREATING NON-SOLID MALIGNANT TUMORS OF THE BLOOD-PRODUCING SYSTEM THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2008-07-03 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-20110021511-A1 SUBSTITUTED 5H-PYRIMIDO[5,4-B]INDOLES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING NON-SOLID MALIGNANT TUMORS OF THE BLOOD-PRODUCING SYSTEM BCL6, BCL3, BCL6B GPR17 884/4885DGAT1 4619/4885MAP2 3747/4885

“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.