SCHEMBL13428956

SCHEMBL13428956

CCOc1cc(N2CCN[C@@H](C)C2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 2/20 0.47
KHK P50053 2/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.41
CCR1 P32246 1/20 0.40
ADRB1 P08588 1/20 0.39
CHEK1 O14757 1/20 0.39
BRD4 O60885 1/20 0.39
HSD11B1 P28845 1/20 0.38
PTGDR Q13258 1/20 0.38

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
Hydrochloric Acid SCHEMBL1639656 0.99 BCL2A1 (0.46) BCL2A1KHKMAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL1639659 0.99 BCL2A1 (0.46) BCL2A1KHKMAPTALDH1A1LMNA
SCHEMBL4573887 0.88 KHK (0.46) BCL2A1KHKMAPTCHEK1
Hydrochloric Acid SCHEMBL1639842 0.85 BCL2A1 (0.44) BCL2A1KHKMAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL1639840 0.85 BCL2A1 (0.44) BCL2A1KHKMAPTALDH1A1LMNA
SCHEMBL1639654 0.85 BCL2A1 (0.50) BCL2A1KHKMAPTALDH1A1LMNA
SCHEMBL2867159 0.85 BCL2A1 (0.50) BCL2A1KHKMAPTALDH1A1LMNA
SCHEMBL1639658 0.85 BCL2A1 (0.50) BCL2A1KHKMAPTALDH1A1LMNA
SCHEMBL8112635 0.85 TLR9 (0.48) KHKMAPTALDH1A1CHEK1
Hydrochloric Acid SCHEMBL1637571 0.84 BCL2A1 (0.49) BCL2A1KHKMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946240-B2 4-amino-3-(imidazolyl)-pyrazolo[3,4-D]pyrimidines CHEMOCENTRYX, INC. (US) 2015-02-03 US disclosed
US-8946240-B2 4-amino-3-(imidazolyl)-pyrazolo[3,4-D]pyrimidines CHEMOCENTRYX, INC. (US) 2015-02-03 US disclosed
US-20130178623-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2013-07-11 US disclosed
US-20130178623-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2013-07-11 US disclosed
US-8343975-B2 4-amino-3-(imidazolyl)-pyrazolo[3,4-D]pyrimidines CHEMOCENTRYX, INC. 2013-01-01 US disclosed
US-8343975-B2 4-amino-3-(imidazolyl)-pyrazolo[3,4-D]pyrimidines CHEMOCENTRYX, INC. 2013-01-01 US disclosed
WO-2010030815-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2010-03-18 WO disclosed
US-20100069396-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2010-03-18 US disclosed
US-20100069396-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2010-03-18 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-20100069396-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CCR1, CCR3, CCR4 BCL2A1 4482/4885KHK 3339/4885MAPT 3686/4885
US-20130178623-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CCR1, CCR3, CCR4 BCL2A1 4482/4885KHK 3339/4885MAPT 3686/4885

“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.