SCHEMBL1639313

SCHEMBL1639313

O=Cc1n[nH]c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ AURKA O14965 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ AXL P30530 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ERN1 O75460 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MET P08581 2/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ TRIM24 O15164 1/20 0.36
▸ TRIM33 Q9UPN9 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ MAP2K1 Q02750 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
SCHEMBL29935587 1.00 KMT2A (0.50) KMT2AAURKAPARP1AXLKDM4E
SCHEMBL12336934 0.79 KMT2A (0.37) KMT2AAURKAPARP1AXLKDM4E
SCHEMBL10126734 0.77 KMT2A (0.40) KMT2AAURKAPARP1KDM4EMEN1
SCHEMBL4668018 0.76 CAMKK2 (0.38) KMT2AAURKAPARP1KDM4EFEN1
SCHEMBL4667699 0.76 CAMKK2 (0.38) KMT2AAURKAPARP1KDM4EFEN1
SCHEMBL4776889 0.74 CCNC (0.42) KMT2AAURKAAXLMEN1MET
SCHEMBL4776882 0.74 CCNC (0.42) KMT2AAURKAAXLMEN1MET
SCHEMBL30631993 0.72 PDPK1 (0.48) KMT2AAURKAPARP1AXLKDM4E
SCHEMBL1495296 0.72 PDPK1 (0.48) KMT2AAURKAPARP1AXLKDM4E
SCHEMBL174642 0.72 PDPK1 (0.48) KMT2AAURKAPARP1AXLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111620868-B Preparation method of 1H-pyrazolo [3,4-b ] pyridine-3-formaldehyde 爱斯特(成都)生物制药股份有限公司 2021-08-31 — — CN claimed
CN-111620868-A Preparation method of 1H-pyrazolo [3,4-b ] pyridine-3-formaldehyde 爱斯特(成都)生物制药股份有限公司 2020-09-04 — — CN claimed
CN-111848612-B Compound containing fused heterocyclic structure, preparation method and application thereof, and bactericide 华中师范大学 2021-09-14 — — CN disclosed
CN-111620868-B Preparation method of 1H-pyrazolo [3,4-b ] pyridine-3-formaldehyde 爱斯特(成都)生物制药股份有限公司 2021-08-31 — — CN disclosed
CN-111620868-B Preparation method of 1H-pyrazolo [3,4-b ] pyridine-3-formaldehyde 爱斯特(成都)生物制药股份有限公司 2021-08-31 — — CN disclosed
CN-111620868-B Preparation method of 1H-pyrazolo [3,4-b ] pyridine-3-formaldehyde 爱斯特(成都)生物制药股份有限公司 2021-08-31 — — CN disclosed
CN-111848612-A Compound containing fused heterocyclic structure, preparation method and application thereof, and bactericide 华中师范大学 2020-10-30 — — CN disclosed
CN-111620868-A Preparation method of 1H-pyrazolo [3,4-b ] pyridine-3-formaldehyde 爱斯特(成都)生物制药股份有限公司 2020-09-04 — — CN disclosed
CN-111620868-A Preparation method of 1H-pyrazolo [3,4-b ] pyridine-3-formaldehyde 爱斯特(成都)生物制药股份有限公司 2020-09-04 — — CN disclosed
CN-111620868-A Preparation method of 1H-pyrazolo [3,4-b ] pyridine-3-formaldehyde 爱斯特(成都)生物制药股份有限公司 2020-09-04 — — CN disclosed
EP-2155203-B1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2018-10-17 — — EP 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
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 (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-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 KMT2A 3304/4885AURKA 4036/4885PARP1 2306/4885
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 KMT2A 4763/4885AURKA 3274/4885PARP1 2691/4885

“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.

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