SCHEMBL1163121

SCHEMBL1163121

CC(=O)N(c1ccccc1C)c1ncc(Cl)c(C#N)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.38
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ GPBAR1 Q8TDU6 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL1162796 0.81 KMT2A (0.44) ALDH1A1GAAKDM4EHTTHPGD
SCHEMBL1162959 0.79 BTK (0.52) ALDH1A1KDM4EHTTHPGDKMT2A
SCHEMBL7985661 0.69 TSHR (0.43) ALDH1A1GAAHTTTSHRKMT2A
SCHEMBL22917037 0.69 LMNA (0.53) ALDH1A1GAAHPGDTSHRKMT2A
SCHEMBL1162661 0.65 KDM4E (0.51) KDM4EHSD17B10TSHRKMT2ATP53
SCHEMBL6008374 0.64 HTT (0.44) ALDH1A1KDM4EHTTHSD17B10TSHR
SCHEMBL7985338 0.64 KMT2A (0.54) ALDH1A1HTTTSHRKMT2APOLB
SCHEMBL31042826 0.63 POLB (0.51) ALDH1A1HPGDTSHRTP53POLB
SCHEMBL9547533 0.61 NPSR1 (0.46) ALDH1A1GAAKDM4EHPGDTSHR
SCHEMBL9931971 0.60 LMNA (0.50) ALDH1A1KDM4ETSHRKMT2ATP53

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
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
EP-2789615-A1 Azaindazoles as Btk kinase modulators and use thereof Bristol-Myers Squibb Company (US) 2014-10-15 — — EP disclosed
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 — — US disclosed
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 — — US disclosed
EP-2464647-A1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF Bristol-Myers Squibb Company (US) 2012-06-20 — — EP disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 — — US disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 — — US disclosed
WO-2011019780-A1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-17 — — WO 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 (1 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-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BTK, ABL1, JAK1 ALDH1A1 2841/4885GAA 3543/4885KDM4E 728/4885

“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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