SCHEMBL1639566

SCHEMBL1639566

O=C(O)Cn1nc(-c2ncc[nH]2)c2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.53
▸ ALOX15 P16050 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RAB9A P51151 1/20 0.38
▸ PDE5A O76074 1/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ ADK P55263 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.36
▸ GUCY1A1 Q02108 2/20 0.35
▸ GUCY1B1 Q02153 2/20 0.35
▸ CSNK1A1 P48729 1/20 0.35

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
SCHEMBL10063585 0.89 CCR1 (0.54) CCR1PDE5AGSK3BKDM4EALDH1A1
SCHEMBL1638721 0.83 CCR1 (0.52) CCR1GSK3BKDM4ETSHRALDH1A1
SCHEMBL10063598 0.81 CCR1 (0.71) CCR1ALOX15HSD17B10TSHRALDH1A1
SCHEMBL18058868 0.81 CCR1 (0.50) CCR1ALOX15PDE5AKDM4ETSHR
SCHEMBL1639832 0.76 ALOX15 (0.43) ALOX15HSD17B10RAB9ATSHRL3MBTL1
SCHEMBL10063594 0.74 CCR1 (0.41) CCR1ALDH1A1MTORADKNISCH
SCHEMBL13978836 0.74 CCR1 (0.62) CCR1KDM4EALDH1A1
SCHEMBL2363211 0.74 CCR1 (0.44) CCR1RAB9AKDM4EALDH1A1MTOR
SCHEMBL12569495 0.73 ALOX15 (0.40) CCR1ALOX15HSD17B10RAB9APDE5A
SCHEMBL1846817 0.73 PIK3CD (0.45) KDM4ETP53MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180369213-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2018-12-27 — — US disclosed
EP-2155203-B1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2018-10-17 — — EP disclosed
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2018-09-06 — — US disclosed
EP-2888261-B1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX INC (US) 2018-04-18 — — EP disclosed
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-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 — — US disclosed
EP-2155712-B1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX INC (US) 2016-09-07 — — EP disclosed
EP-2155712-B1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX INC (US) 2016-09-07 — — EP disclosed
US-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2016-07-07 — — US disclosed
WO-2008147815-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 — — WO disclosed
WO-2008147815-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 — — WO disclosed
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 — — US disclosed
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 — — US disclosed
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 — — US disclosed
WO-2008147822-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2008-12-04 — — WO disclosed
WO-2008147822-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2008-12-04 — — WO disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 — — US disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 — — US disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 — — 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 (6 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-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 CCR1 1/4885ALOX15 699/4885HSD17B10 2814/4885
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885ALOX15 404/4885HSD17B10 3288/4885
US-20180369213-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 CCR1 1/4885ALOX15 699/4885HSD17B10 2814/4885
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885ALOX15 404/4885HSD17B10 3288/4885
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885ALOX15 404/4885HSD17B10 3288/4885
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 CCR1 1/4885ALOX15 1602/4885HSD17B10 3683/4885

“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.

Send feedback