SCHEMBL16336317

SCHEMBL16336317

COC(=O)c1cnc(Cl)c2ccn(Cc3ccc(OC)cc3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 1/20 0.45
▸ NR3C1 P04150 4/20 0.44
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41

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
SCHEMBL29709454 1.00 HSP90B1 (0.45) HSP90B1NR3C1CYP11B1CYP11B2POLB
SCHEMBL3988625 0.90 GAA (0.49) LMNATP53MAPTGAA
SCHEMBL16339582 0.90 CHRM1 (0.47) NR3C1CYP11B1CYP11B2POLBMMP13
SCHEMBL16336730 0.77 NR4A2 (0.43) POLBHDAC8HDAC11HDAC6HDAC3
SCHEMBL3993168 0.76 NR4A2 (0.43) ABL1MAPTGAA
SCHEMBL1079446 0.74 CHRM1 (0.53) POLBHDAC8HDAC11HDAC6HDAC3
SCHEMBL1003088 0.73 GAA (0.54) NR3C1ABL1BCRLMNATP53
SCHEMBL3988800 0.72 KMT2A (0.44) POLBLMNAMAPTGAA
SCHEMBL15668063 0.71 NR4A2 (0.49) LMNATP53MAPTGAA
SCHEMBL15647133 0.71 NR4A2 (0.49) LMNATP53MAPTGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 — — EP disclosed
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 — — US disclosed
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2019-09-19 — — US disclosed
EP-3483167-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2019-05-15 — — EP disclosed
EP-3013337-B1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC (US) 2018-10-31 — — EP disclosed
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 — — US disclosed
US-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 — — US disclosed
EP-3013337-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS Abbvie Inc. (US) 2016-05-04 — — EP disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 — — US disclosed
WO-2014210255-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2014-12-31 — — 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 (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-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 HSP90B1 2540/4885NR3C1 1286/4885CYP11B1 1589/4885
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 HSP90B1 2540/4885NR3C1 1286/4885CYP11B1 1589/4885
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 HSP90B1 2540/4885NR3C1 1286/4885CYP11B1 1589/4885
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 HSP90B1 2540/4885NR3C1 1286/4885CYP11B1 1589/4885

“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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