SCHEMBL974622

SCHEMBL974622

N#Cc1cc(Br)ccc1NCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.39
RECQL P46063 1/20 0.38
MELK Q14680 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
APEX1 P27695 1/20 0.36
GAA P10253 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
AAK1 Q2M2I8 2/20 0.35
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
DRD4 P21917 1/20 0.34
PTGFR P43088 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL977210 0.88 PIP4K2A (0.39) PIP4K2AMELKALDH1A1MAPTGAA
SCHEMBL13561053 0.78 AAK1 (0.48) ALDH1A1MAPTAPEX1GAAAAK1
SCHEMBL15485828 0.76 RECQL (0.36) RECQLGAASMN1; SMN2AAK1PTGFR
SCHEMBL18398209 0.75 MAPK1 (0.45) ALDH1A1MAPTAPEX1GAASMN1; SMN2
SCHEMBL14139153 0.74 HDAC1 (0.44) ALDH1A1MAPTAPEX1GAASMN1; SMN2
SCHEMBL5026903 0.74 F2 (0.36) MELKALDH1A1MAPTGAASMN1; SMN2
SCHEMBL5027778 0.74 MELK (0.36) PIP4K2AMELKALDH1A1MAPTGAA
SCHEMBL1846121 0.74 GLA (0.44) PIP4K2AMELKMAPTGAASMN1; SMN2
SCHEMBL24569374 0.73 NOS3 (0.38) RECQLALDH1A1GAASMN1; SMN2AAK1
SCHEMBL5025117 0.73 BLM (0.41) PIP4K2AMELKALDH1A1MAPTGAA

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-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
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
EP-2104675-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) 2009-09-30 EP 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 PIP4K2A 1944/4885RECQL 4330/4885MELK 2168/4885

“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.