SCHEMBL4003442

SCHEMBL4003442

O=Cc1cncn1-c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
PKM P14618 1/20 0.38
PTGS2 P35354 1/20 0.37
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
ATM Q13315 1/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31

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
SCHEMBL4836447 0.82 ALDH1A1 (0.41) ALDH1A1PTGS2CYP11B1CYP11B2ATM
SCHEMBL28073055 0.82 CYP2A6 (0.42) ALDH1A1KMT2ACYP11B1CYP11B2ATM
SCHEMBL27981339 0.82 HSD17B10 (0.42) ALDH1A1PKMPTGS2HTTCYP11B1
SCHEMBL7563960 0.81 ATM (0.53) ALDH1A1PKMHTTCYP11B1CYP11B2
SCHEMBL16099492 0.78 CYP11B2 (0.58) PKMCYP11B1CYP11B2
SCHEMBL14167337 0.78 CYP11B1 (0.41) ALDH1A1CYP11B1CYP11B2ATMMGLL
SCHEMBL10589324 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AHTTNPC1RAB9A
SCHEMBL17940683 0.73 HCAR1 (0.37) ALDH1A1CYP11B1CYP11B2SMN1; SMN2KDM4E
SCHEMBL29691103 0.72 CYP11B1 (0.39) PKMKMT2AHTTCYP11B1CYP11B2
SCHEMBL7700254 0.71 CYP11B1 (0.67) ALDH1A1PKMCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498354-B2 Pyrrolo[2,3-D]imidazoles for the treatment of hyperproliferative disorders OSI PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-7498354-B2 Pyrrolo[2,3-D]imidazoles for the treatment of hyperproliferative disorders OSI PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-7498354-B2 Pyrrolo[2,3-D]imidazoles for the treatment of hyperproliferative disorders OSI PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
EP-1883638-A1 PYRROLO [2,3-D] IMIDAZOLES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS OSI Pharmaceuticals, Inc. (US) 2008-02-06 EP disclosed
WO-2006107756-A1 PYRROLO [2,3-D] IMIDAZOLES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS OSI PHARMACEUTICALS, INC. (US) 2006-10-12 WO disclosed
US-20060223799-A1 Pyrrolo[2,3-D]imidazoles for the treatment of hyperproliferative disorders OSI PHARMACEUTICALS, INC. 2006-10-05 US disclosed
US-20020156113-A1 Farnesyl transferase inhibitors; anticancer agents LES LABORATOIRES SERVIER (FR) 2002-10-24 US disclosed
EP-1225170-A2 Cycloheptene compounds, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier S.A. (FR) 2002-07-24 EP 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-20020156113-A1 Farnesyl transferase inhibitors; anticancer agents COASY, FNTA, FNTB ALDH1A1 484/4885PKM 4263/4885PTGS2 2804/4885
US-20060223799-A1 Pyrrolo[2,3-D]imidazoles for the treatment of hyperproliferative disorders PPOX, VHL, TP53 ALDH1A1 1280/4885PKM 2568/4885PTGS2 108/4885

“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.