SCHEMBL4959969

SCHEMBL4959969

O=C(c1ccccn1)c1cccnc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KMT2A Q03164 2/20 0.55
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
NAPRT Q6XQN6 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GRM4 Q14833 1/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EGFR P00533 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL950218 0.85 LMNA (0.73) LMNASMN1; SMN2KMT2AL3MBTL1POLB
SCHEMBL17842156 0.84 GRM4 (0.64) LMNASMN1; SMN2KMT2ACES2CES1
SCHEMBL3709112 0.80 SMN1; SMN2 (0.67) LMNASMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL2783136 0.79 KMT2A (0.51) LMNAKMT2ACES2CES1NAPRT
SCHEMBL16211860 0.79 NAPRT (0.59) LMNAKMT2ACES2CES1NAPRT
SCHEMBL12143400 0.79 KMT2A (0.55) LMNAKMT2ACES2CES1NAPRT
SCHEMBL31369148 0.78 KMT2A (0.75) LMNASMN1; SMN2KMT2ACES2CES1
SCHEMBL87791 0.78 KMT2A (0.75) LMNASMN1; SMN2KMT2ACES2CES1
SCHEMBL30118935 0.78 KMT2A (0.58) LMNASMN1; SMN2KMT2ACES2CES1
SCHEMBL5717594 0.78 L3MBTL1 (0.64) LMNASMN1; SMN2KMT2ACES2CES1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 US disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 US disclosed
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
US-8383630-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2013-02-26 US disclosed
US-8383630-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2013-02-26 US disclosed
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2011-04-28 US disclosed
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2011-04-28 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7244753-B2 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2007-07-17 US disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 US disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 US disclosed
WO-2007002293-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-01-04 WO disclosed
EP-1542972-A2 CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-06-22 EP disclosed
US-20040072883-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. 2004-04-15 US disclosed
WO-2004010945-A2 CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-02-05 WO disclosed
US-6136810-A DRUGS AS ENZYME INHIBITORS OF PHOSPHODIESTERASE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0885894-A1 PYRIDO [2,3-D] PYRIMIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-12-23 EP disclosed
CN-1202171-A Pyrido [2,3-d] pyrimidine derivatives and medicinal compositions thereof YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 CN 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-20040072883-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGES2 LMNA 4147/4885SMN1; SMN2 2470/4885KMT2A 3968/4885
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 LMNA 4347/4885SMN1; SMN2 1806/4885KMT2A 3304/4885
US-20070010524-A1 Azaindazole compounds and methods of use CCR1, CCR3, CCR4 LMNA 4347/4885SMN1; SMN2 1806/4885KMT2A 3304/4885
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 LMNA 4347/4885SMN1; SMN2 1806/4885KMT2A 3304/4885

“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.