SCHEMBL3214532

SCHEMBL3214532

Clc1cc(C2CCCCC2)nc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
CTSK P43235 4/20 0.37
CTSS P25774 2/20 0.37
TLR8 Q9NR97 1/20 0.36
KMO O15229 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
PSD A5PKW4 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL19771672 1.00 HRH4 (0.41) HRH4L3MBTL1CTSKCTSSTLR8
SCHEMBL3229097 0.98 HRH4 (0.42) HRH4L3MBTL1CTSKCTSSTLR8
SCHEMBL20798062 0.94 HRH4 (0.38) HRH4L3MBTL1CTSKCTSSTLR8
SCHEMBL3852030 0.90 CYP17A1 (0.34) HRH4L3MBTL1
SCHEMBL16220098 0.81 KDM5B (0.40)
SCHEMBL8321238 0.81 HRH4 (0.59) HRH4HRH3
SCHEMBL16220100 0.79 CNR2 (0.32)
SCHEMBL1615966 0.78 HRH4 (0.61) HRH4HRH3
SCHEMBL10567415 0.77 PSMB5 (0.41) HRH4L3MBTL1CTSKCTSSTLR8
SCHEMBL5795642 0.75 CTSK (0.62) HRH4CTSKCTSSTLR8PSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US claimed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP claimed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO claimed
CN-111655688-B Substituted pyrrolopyridines as ATR inhibitors 蓝谷制药有限责任公司 2023-09-29 CN disclosed
US-20220227755-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS GREENGENE BIOSCIENCES INC. 2022-07-21 US disclosed
EP-3679041-B1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS NEWAVE PHARMACEUTICAL INC (US) 2022-07-06 EP disclosed
US-11236089-B2 Substituted pyrrolopyridines as ATR inhibitors BLUEVALLEY PHARMACEUTICAL LLC (US) 2022-02-01 US disclosed
CN-111655688-A Substituted pyrrolopyridines as ATR inhibitors 蓝谷制药有限责任公司 2020-09-11 CN disclosed
EP-3679041-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS BLUEVALLEY PHARMACEUTICAL LLC (US) 2020-07-15 EP disclosed
US-20200207763-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS GREENGENE BIOSCIENCES INC. 2020-07-02 US disclosed
WO-2019050889-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS BLUEVALLEY PHARMACEUTICAL LLC (US) 2019-03-14 WO disclosed
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US disclosed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP disclosed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 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 (4 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-20220227755-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS ATR, RB1, ATRIP HRH4 3528/4885L3MBTL1 653/4885CTSK 4219/4885
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 HRH4 1/4885L3MBTL1 4645/4885CTSK 3657/4885
US-11236089-B2 Substituted pyrrolopyridines as ATR inhibitors ATR, RB1, ATRIP HRH4 3528/4885L3MBTL1 653/4885CTSK 4219/4885
US-20200207763-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS ATR, RB1, ATRIP HRH4 3528/4885L3MBTL1 653/4885CTSK 4219/4885

“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.