SCHEMBL974602

SCHEMBL974602

O=c1[nH]c(=O)c2[nH]c3cc(Br)ccc3c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.49
PIM3 Q86V86 3/20 0.47
CDK4 P11802 4/20 0.46
CCND1 P24385 4/20 0.46
CAMK2A Q9UQM7 3/20 0.46
CDK9 P50750 2/20 0.46
CDK5 Q00535 2/20 0.46
CAMK2B Q13554 2/20 0.46
CAMK2G Q13555 2/20 0.46
CAMK2D Q13557 2/20 0.46
CCNE2 O96020 2/20 0.46
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
CCNT1 O60563 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
EIF2AK2 P19525 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK5R1 Q15078 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
SCHEMBL978028 0.86 PIM1 (0.49) METAP2PIM3CDK4CCND1CAMK2A
SCHEMBL17877000 0.83 PIM3 (0.54) METAP2PIM3CDK4CCND1CAMK2A
SCHEMBL2730824 0.82 METAP2 (0.60) METAP2PIM3CDK4CCND1CAMK2A
SCHEMBL30013301 0.82 METAP2 (0.60) METAP2PIM3CDK4CCND1CAMK2A
SCHEMBL8814308 0.74 KDM4E (0.64) CDK4CCND1CAMK2ACDK5CAMK2B
SCHEMBL5879261 0.72 CHEK1 (0.59) METAP2PIM3CDK4CCND1CAMK2A
SCHEMBL30577754 0.72 METAP2 (0.49) METAP2PIM3CDK4CCND1CAMK2A
SCHEMBL22066486 0.71 CDK4 (0.54) METAP2PIM3CDK4CCND1CAMK2A
SCHEMBL182445 0.71 JAK2 (0.60) METAP2CDK4CCND1CAMK2ACDK9
SCHEMBL10153752 0.71 PARP1 (0.56) METAP2PIM3CDK4CCND1CAMK2A

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 9 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
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 METAP2 4118/4885PIM3 400/4885CDK4 259/4885

“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.