SCHEMBL3624360

SCHEMBL3624360

N#Cc1cc(-c2ccnc(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2)n(OC(=O)C(F)(F)F)c1N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
EPHX2 P34913 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3614138 0.92 IKBKB (0.41) EPHX2CCNT1CCNA2CDK2CDK9
SCHEMBL3618065 0.85 IKBKB (0.41) MEN1KMT2AIKBKBCHUKLMNA
SCHEMBL3609041 0.83 ABL1 (0.40) POLBPKMCCNT1CDK9KCNH2
Trifluoroacetic Acid SCHEMBL3624358 0.82 KMT2A (0.42) ATMMEN1KMT2APOLBPKM
SCHEMBL13408180 0.79 IKBKB (0.44) ATMMEN1KMT2APOLBPKM
SCHEMBL3618818 0.76 NPC1 (0.38) CDK9ALDH1A1KCNH2
SCHEMBL3618389 0.76 BRAF (0.35) CDK9IKBKETBK1
SCHEMBL3614596 0.74 IKBKB (0.36) CDK9IKBKBCHUKALDH1A1KCNH2
Trifluoroacetic Acid SCHEMBL3614134 0.74 IKBKB (0.41) EPHX2CCNT1CCNA2CDK2CDK9
SCHEMBL4007588 0.73 MEN1 (0.48) ATMMEN1KMT2APOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 ATM 3752/4885MEN1 420/4885KMT2A 2993/4885

“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.