SCHEMBL976253

SCHEMBL976253

NC(=O)c1[nH]c2cc(Br)ccc2c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.48
KDM4E B2RXH2 3/20 0.46
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 1/20 0.43
PIM3 Q86V86 1/20 0.42
PDPK1 O15530 1/20 0.42
JAK2 O60674 1/20 0.42
PRNP P04156 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL975904 0.87 RXFP1 (0.50) KDM4EGAANPSR1ALDH1A1MAPT
SCHEMBL29062814 0.82 GPR17 (0.47) GPR17KDM4EGAANPSR1ALDH1A1
SCHEMBL28477589 0.78 KDM4E (0.64) KDM4EGAANPSR1ALDH1A1MAPT
SCHEMBL13504611 0.78 PDPK1 (0.40) GPR17KDM4EGAANPSR1ALDH1A1
SCHEMBL3210534 0.77 PDPK1 (0.42) GPR17PDPK1JAK2METAP2DGAT1
SCHEMBL31156425 0.75 MAP2 (0.62) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL31219036 0.72 MAP2 (0.47) KDM4EGAANPSR1ALDH1A1MAPT
SCHEMBL8793810 0.71 GPR17 (0.60) GPR17NPSR1KMT2APIM3PRNP
SCHEMBL975002 0.71 GPR17 (0.50) GPR17PDPK1DGAT1
SCHEMBL20534734 0.70 EIF4A3 (0.61) GPR17NPSR1KMT2APRNPCYP1A2

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 884/4885KDM4E 2592/4885GAA 2943/4885

“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.