SCHEMBL14002829

SCHEMBL14002829

CNC(=O)c1cc(N)cn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.37
BRD4 O60885 2/20 0.37
NR4A2 P43354 1/20 0.35
PKM P14618 2/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CLK1 P49759 1/20 0.33
TP53 P04637 1/20 0.32
HRAS P01112 1/20 0.32
ESR1 P03372 1/20 0.32
TOP1 P11387 1/20 0.32
ESR2 Q92731 1/20 0.32
AR P10275 1/20 0.32
EGFR P00533 1/20 0.32
PLAU P00749 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL14002824 0.89 HRAS (0.45) TP53HRASESR1TOP1ESR2
SCHEMBL20085594 0.80 CCNC (0.48) BRD4NR4A2PKMCCNCCDK8
SCHEMBL21180776 0.78 BAZ2B (0.42) BAZ2BBRD4NR4A2PKMCLK1
SCHEMBL13527129 0.78 CCNC (0.51) BRD4PKMCCNCCDK8AR
SCHEMBL781811 0.78 TDP1 (0.45) PKMCCNCCDK8ESR2AR
SCHEMBL10110884 0.78 CCNC (0.36) BRD4PKMCCNCCDK8AR
SCHEMBL18773492 0.78 TOP1 (0.41) BRD4PKMHRASESR1TOP1
Hydrochloric Acid SCHEMBL7535001 0.77 KDM4E (0.44) PKMHRASESR1TOP1ESR2
SCHEMBL13682469 0.77 PKM (0.41) PKMHRASESR1TOP1ESR2
SCHEMBL2215169 0.77 CYP1A2 (0.46) BRD4NR4A2PKMKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders IMMUNOGEN, INC. (US) 2023-10-24 US disclosed
US-20200397914-A1 BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2020-12-24 US disclosed
US-7449547-B2 Process for the synthesis of distamycin and derivatives thereof using 1-methyl-4-formylamino-2-pyrrolecarbonyl chloride iteratively as an intermediate NAXOPHARMA S.R.L. (IT) 2008-11-11 US disclosed
US-20070060523-A1 Process for the synthesis of distamycin and derivatives thereof using 1-methyl-4-formylamino-2-pyrrolecarbonyl chloride iteratively as an intermediate NAXOSPHARMA S.R.L. (IT) 2007-03-15 US 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 (3 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-20200397914-A1 BENZODIAZEPINE DERIVATIVES GABRA5, GABRA3, GABRA1 BAZ2B 607/4885BRD4 240/4885NR4A2 582/4885
US-20070060523-A1 Process for the synthesis of distamycin and derivatives thereof using 1-methyl-4-formylamino-2-pyrrolecarbonyl chloride iteratively as an intermediate DHPS, PCBP1, MRPL21 BAZ2B 2943/4885BRD4 154/4885NR4A2 3410/4885
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders MKI67, GABBR1, GABBR2 BAZ2B 434/4885BRD4 34/4885NR4A2 741/4885

“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.