SCHEMBL4030073

SCHEMBL4030073

CCNc1nc(F)ccc1NC(=O)c1cc(Br)cnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.39
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MDM4 O15151 1/20 0.37
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
MDM2 Q00987 1/20 0.37
ATM Q13315 1/20 0.37
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL5745351 0.89 KDR (0.40) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL5746213 0.87 SMN1; SMN2 (0.39) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL5746260 0.83 MDM4 (0.44) KDRSMN1; SMN2ALDH1A1MDM4MITF
SCHEMBL6958954 0.78 KDR (0.47) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL5743141 0.77 KDR (0.46) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL5746185 0.75 MAPT (0.45) KDRSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL4484518 0.75 RXFP1 (0.57) SMN1; SMN2ALDH1A1TP53RAB9ANPC1
SCHEMBL5743089 0.74 KDR (0.42) KDRSMN1; SMN2ALDH1A1HTTTP53
SCHEMBL985376 0.71 TP53 (0.46) KDRTP53MAPTHPGDMEN1
SCHEMBL986276 0.71 TP53 (0.46) SMN1; SMN2TP53RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495024-B1 DIPYRIDODIAZEPINONES AS REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2009-01-28 EP disclosed
CN-1318420-C Dipyridodiazepinones as reverse transcriptase inhibitors BOEHRINGER INGELHEIM CA LTD (DE) 2007-05-30 CN disclosed
EP-1655300-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-05-10 EP disclosed
EP-1294720-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-04-05 EP disclosed
CN-1642956-A Bipyridinodiazepine * ketone reverse transcriptase inhibitors BOEHRINGER INGELHEIM CA LTD (DE) 2005-07-20 CN disclosed
CN-1178939-C Non-nucleoside reverse transcriptase inhibitors ���ָ����Ӣ��ķ���ô����޹�˾ 2004-12-08 CN disclosed
US-6706706-B2 FOR PREVENTING PERINATAL TRANSMISSION OF HIV-1 FROM MOTHER TO BABY AND TREATING HIV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-03-16 US disclosed
US-20030195197-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-10-16 US disclosed
CN-1436189-A Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 2003-08-13 CN disclosed
EP-1294720-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-03-26 EP disclosed
US-6420359-B1 5,11-Dihydro-11-ethyl-5-methyl-8-(2-((1-oxido-4-quinolinyl)oxy)ethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one for example; antiviral agents for HIV infection BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-07-16 US disclosed
US-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-03-07 US disclosed
WO-2001096338-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-20 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 (2 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-20030195197-A1 Non-nucleoside reverse transcriptase inhibitors RCOR1, POLR2H, CCR4 KDR 4272/4885HDAC3 288/4885HDAC4 191/4885
US-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors REV1, POLR2H, POLR2E KDR 4500/4885HDAC3 1858/4885HDAC4 1407/4885

“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.