SCHEMBL2867159

SCHEMBL2867159

COc1cc(N2CCN[C@@H](C)C2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 2/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
CHEK1 O14757 1/20 0.45
GHSR Q92847 4/20 0.45
MAPT P10636 1/20 0.44
SUV39H2 Q9H5I1 2/20 0.44
KHK P50053 2/20 0.44
ALK Q9UM73 1/20 0.43
TGFBR1 P36897 1/20 0.42
ACVR1 Q04771 1/20 0.42
ADRB1 P08588 1/20 0.42
CCR1 P32246 2/20 0.41

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
SCHEMBL1639658 1.00 BCL2A1 (0.50) BCL2A1ALDH1A1LMNATLR9TLR8
SCHEMBL1639654 1.00 BCL2A1 (0.50) BCL2A1ALDH1A1LMNATLR9TLR8
Hydrochloric Acid SCHEMBL1637572 0.99 BCL2A1 (0.49) BCL2A1ALDH1A1LMNATLR9TLR8
Hydrochloric Acid SCHEMBL1637571 0.99 BCL2A1 (0.49) BCL2A1ALDH1A1LMNATLR9TLR8
SCHEMBL8113241 0.89 MAPT (0.52) BCL2A1ALDH1A1LMNATLR9TLR8
SCHEMBL12633649 0.89 MAPT (0.52) BCL2A1ALDH1A1LMNATLR9TLR8
SCHEMBL8270689 0.87 TLR9 (0.55) BCL2A1TLR9TLR8TLR7CHEK1
SCHEMBL2243476 0.87 TLR9 (0.55) BCL2A1TLR9TLR8TLR7CHEK1
Hydrochloric Acid SCHEMBL4572995 0.86 TLR9 (0.54) BCL2A1ALDH1A1LMNATLR9TLR8
SCHEMBL13428956 0.85 BCL2A1 (0.47) BCL2A1ALDH1A1LMNACHEK1MAPT

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 27 patents — showing the first 20. 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
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
CN-100542534-C Substituted piperazines CHEMOCENTRYX INC (US) 2009-09-23 CN disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 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 (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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 BCL2A1 2551/4885ALDH1A1 951/4885LMNA 4351/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 BCL2A1 2551/4885ALDH1A1 951/4885LMNA 4351/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 BCL2A1 3046/4885ALDH1A1 788/4885LMNA 4218/4885
US-20130178623-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CCR1, CCR3, CCR4 BCL2A1 4482/4885ALDH1A1 1470/4885LMNA 4313/4885

“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.