SCHEMBL1442009

SCHEMBL1442009

NC(=O)c1cncc2cc[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.59
▸ IKBKB O14920 11/20 0.57
▸ CHUK O15111 10/20 0.57
▸ BTK Q06187 4/20 0.46
▸ PLK4 O00444 1/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ RET P07949 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ LTK P29376 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MAP2K2 P36507 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ PRKX P51817 1/20 0.44
▸ CDK5 Q00535 1/20 0.44

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
SCHEMBL29800264 1.00 PDPK1 (0.59) PDPK1IKBKBCHUKBTKPLK4
Hydrochloric Acid SCHEMBL1440567 0.98 PDPK1 (0.57) PDPK1IKBKBCHUKBTKPLK4
SCHEMBL3425595 0.84 KEAP1 (0.58) PDPK1IKBKBCHUKBTKAURKA
SCHEMBL30050554 0.84 KEAP1 (0.58) PDPK1IKBKBCHUKBTKAURKA
SCHEMBL986438 0.78 IKBKB (0.41) PDPK1IKBKBCHUKCHEK1MAP2K1
SCHEMBL3424440 0.74 NUDT1 (0.48) KDR
SCHEMBL1651352 0.74 PDPK1 (1.00) PDPK1IKBKBCHUKBTKPLK4
SCHEMBL29567411 0.74 PDPK1 (1.00) PDPK1IKBKBCHUKBTKPLK4
SCHEMBL4687592 0.73 IKBKB (1.00) PDPK1IKBKBCHUKBTKRIPK1
Hydrochloric Acid SCHEMBL3796059 0.73 PDPK1 (0.96) PDPK1IKBKBCHUKBTKPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 — — EP claimed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 — — WO claimed
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
CN-105530932-A Primary carboxamides as BIK inhibitors ABBVIE INC 2016-04-27 — — CN 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
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 — — EP disclosed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 — — 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 PDPK1 601/4885IKBKB 58/4885CHUK 21/4885
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 PDPK1 601/4885IKBKB 58/4885CHUK 21/4885
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 PDPK1 601/4885IKBKB 58/4885CHUK 21/4885
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 PDPK1 601/4885IKBKB 58/4885CHUK 21/4885

“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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