SCHEMBL975904

SCHEMBL975904

NC(=O)c1[nH]c2ccc(Br)cc2c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.50
PRNP P04156 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PPARG P37231 1/20 0.50
HIF1A Q16665 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NR2E3 Q9Y5X4 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
SIRT1 Q96EB6 2/20 0.46
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAP2 P11137 4/20 0.43

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
SCHEMBL976253 0.87 GPR17 (0.48) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL31219205 0.80 MAP2 (0.66) KDM4EALDH1A1SIRT1MAP2
SCHEMBL13176265 0.77 RXFP1 (0.48) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL3871487 0.76 SIRT1 (0.43) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL31156425 0.75 MAP2 (0.62) KDM4EALDH1A1GAASMN1; SMN2MAP2
SCHEMBL2928362 0.75 RXFP1 (0.40) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL16709352 0.75 SIRT1 (0.50) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL2351131 0.74 MAPT (0.44) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL2347629 0.74 TUBB4A (0.52) RXFP1PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL2349425 0.74 CYP1A2 (0.45) RXFP1PRNPCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4633739-A1 COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS Flare Therapeutics, Inc. (US) 2025-10-22 EP disclosed
WO-2024149239-A1 HETEROAROMATIC CYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊维康医药有限责任公司 2024-07-18 WO disclosed
WO-2024129715-A1 COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS FLARE THERAPEUTICS INC. (US) 2024-06-20 WO 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
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 RXFP1 4122/4885PRNP 4521/4885CYP1A2 157/4885

“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.