SCHEMBL2344564

SCHEMBL2344564

c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.40
DNMT1 P26358 1/20 0.40
WDR5 P61964 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2A6 P11509 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL30616100 0.93 DNMT1 (0.40) GPR84DNMT1WDR5ALDH1A1TDP1
SCHEMBL275907 0.93 DNMT1 (0.40) GPR84DNMT1WDR5ALDH1A1TDP1
SCHEMBL29368065 0.93 DNMT1 (0.40) GPR84DNMT1WDR5ALDH1A1TDP1
SCHEMBL30436853 0.92 DNMT1 (0.39) GPR84DNMT1WDR5ALDH1A1TDP1
SCHEMBL8595804 0.92 DNMT1 (0.39) GPR84DNMT1WDR5ALDH1A1TDP1
SCHEMBL5107 0.91 ALDH1A1 (0.44) GPR84DNMT1WDR5ALDH1A1TDP1
SCHEMBL146878 0.91 ALDH1A1 (0.44) GPR84DNMT1WDR5ALDH1A1TDP1
SCHEMBL29350037 0.91 ALDH1A1 (0.44) GPR84DNMT1WDR5ALDH1A1TDP1
SCHEMBL29496111 0.91 ALDH1A1 (0.44) GPR84DNMT1WDR5ALDH1A1TDP1
SCHEMBL10323632 0.91 ALDH1A1 (0.44) GPR84DNMT1WDR5ALDH1A1TDP1

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
WO-2021107160-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 WO disclosed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP 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-7419995-B2 N-substituted benzimidazoyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. (US) 2008-09-02 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-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 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 (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-20060223799-A1 Pyrrolo[2,3-D]imidazoles for the treatment of hyperproliferative disorders PPOX, VHL, TP53 GPR84 4656/4885DNMT1 83/4885WDR5 2120/4885
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K GPR84 2915/4885DNMT1 2194/4885WDR5 2898/4885

“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.