Sugi Predict

Sugi Predict / Compounds / SCHEMBL1163041

SCHEMBL1163041

SCHEMBL1163041

N#Cc1c(F)c[n+]([O-])cc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GRM2 Q14416 2/20 0.40
▸ GSTP1 P09211 1/20 0.40
▸ RXRA P19793 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ ERBB2 P04626 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38

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
SCHEMBL1162697 0.84 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL16168175 0.84 KMT2A (0.42) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL1162889 0.75 MEN1 (0.47) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL12907078 0.68 CYP11B1 (0.61) KMT2AMEN1ALDH1A1ERBB2KDM4E
SCHEMBL18800764 0.68 ERBB2 (0.43) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL16122062 0.67 MEN1 (0.47) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL1162724 0.67 GRM2 (0.42) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL1162692 0.67 MEN1 (0.47) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL17540361 0.66 MEN1 (0.43) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL7103435 0.66 KMT2A (0.44) KMT2AMEN1ALDH1A1CYP1A2CYP2C9

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 8 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-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 KMT2A 566/4885MEN1 1697/4885ALDH1A1 2841/4885

“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.