SCHEMBL8274149

SCHEMBL8274149

Cc1ccnc2cnoc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
NOS3 P29474 4/20 0.34
NOS2 P35228 4/20 0.34
CYP17A1 P05093 2/20 0.31
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOS1 P29475 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL14202550 0.75
SCHEMBL7813061 0.75
SCHEMBL8371411 0.75 LOXL2 (0.32)
SCHEMBL4065234 0.75 CHEK1 (0.42)
SCHEMBL12899438 0.75 HSP90AA1 (0.31)
SCHEMBL8374289 0.72 HPGD (0.42) SMN1; SMN2
SCHEMBL17537338 0.71 CYP2A6 (0.41) CYP1A2CYP2C9CYP2C19
SCHEMBL7814813 0.71
SCHEMBL13454732 0.70 CCR1 (0.38) CCR1CCR5CCR8NOS3NOS2
SCHEMBL13454694 0.70 LMNA (0.30) CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-02-29 US disclosed
US-20220289739-A1 SUBSTITUTED BENZIMIDAZOLONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-09-15 US disclosed
US-11427580-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-30 US disclosed
US-20210403468-A1 SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-12-30 US disclosed
US-20210393608-A1 SUBSTITUTED INDOLE DIMER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-12-23 US disclosed
US-20200385382-A1 6-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-12-10 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
US-8426585-B2 Compounds comprising a spiro-ring Xi, Ning (US) 2013-04-23 US disclosed
US-20120283296-A1 PYRROLOPYRAZOLES FOR TREATING CNS DISORDERS AFRAXIS, INC. (US) 2012-11-08 US disclosed
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US disclosed
WO-2006000085-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 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 (9 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CCR1 1871/4885CCR5 3381/4885CCR8 1958/4885
US-20210393608-A1 SUBSTITUTED INDOLE DIMER COMPOUNDS TLR7, TLR9, NOD2 CCR1 389/4885CCR5 429/4885CCR8 262/4885
US-20120283296-A1 PYRROLOPYRAZOLES FOR TREATING CNS DISORDERS PAK2, PAK3, PAK5 CCR1 1174/4885CCR5 1394/4885CCR8 1094/4885
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 CCR1 3717/4885CCR5 2978/4885CCR8 3794/4885
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 CCR1 788/4885CCR5 494/4885CCR8 1701/4885
US-20200385382-A1 6-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 CCR1 310/4885CCR5 204/4885CCR8 188/4885
US-11427580-B2 6-azaindole compounds TLR7, TLR9, TLR5 CCR1 310/4885CCR5 204/4885CCR8 188/4885
US-20220289739-A1 SUBSTITUTED BENZIMIDAZOLONE COMPOUNDS TLR7, TLR1, TLR9 CCR1 215/4885CCR5 249/4885CCR8 174/4885
US-20210403468-A1 SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS TLR1, TLR7, IDO1 CCR1 59/4885CCR5 217/4885CCR8 163/4885

“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.