SCHEMBL13834754

SCHEMBL13834754

N#Cc1c[nH]c2nc(Br)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.53
DYRK1A Q13627 3/20 0.45
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
CHUK O15111 4/20 0.41
APP P05067 1/20 0.39
CHEK1 O14757 1/20 0.39
HASPIN Q8TF76 1/20 0.39
ADORA2A P29274 1/20 0.38
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
CDC42BPA Q5VT25 2/20 0.37
CDC42BPB Q9Y5S2 2/20 0.37

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
SCHEMBL3827956 0.79 LRRK2 (0.53) LRRK2DYRK1ACCNT1CDK9IMPDH2
SCHEMBL21274452 0.79 LRRK2 (0.53) LRRK2DYRK1ACCNT1CDK9IMPDH2
SCHEMBL13834371 0.78 LRRK2 (0.49) LRRK2DYRK1ACCNT1CDK9IMPDH2
SCHEMBL28634050 0.75 AXL (0.52) DYRK1ACCNT1CDK9CCNA2CDK2
SCHEMBL13835178 0.75 LRRK2 (0.49) LRRK2DYRK1ACCNT1CDK9IMPDH2
SCHEMBL21268738 0.74 CHEK1 (0.44) LRRK2DYRK1AIMPDH2IMPDH1CHEK1
SCHEMBL15333269 0.72 CDK5 (0.46) DYRK1ACCNT1CDK9CCNA2CDK2
SCHEMBL30503527 0.72 CDK5 (0.46) DYRK1ACCNT1CDK9CCNA2CDK2
SCHEMBL26631464 0.72 CDK5 (0.46) DYRK1ACCNT1CDK9CCNA2CDK2
SCHEMBL20584686 0.72 CDK5 (0.54) DYRK1ACCNT1CDK9CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-02 US disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 US disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 US disclosed
EP-2709997-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
EP-2970268-A1 CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-8969375-B2 CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-03-03 US disclosed
WO-2014159999-A1 CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 WO disclosed
US-20140275153-A1 CDK9 KINASE INHIBITORS ABBIVE INC. 2014-09-18 US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
EP-2709997-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2014-03-26 EP disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 US disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 US disclosed
WO-2012156334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 WO disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 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 (5 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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS LRRK2 632/4885DYRK1A 2468/4885CCNT1 1683/4885
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 LRRK2 75/4885DYRK1A 2835/4885CCNT1 4491/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS LRRK2 632/4885DYRK1A 2468/4885CCNT1 1683/4885
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN LRRK2 952/4885DYRK1A 264/4885CCNT1 545/4885
US-20140275153-A1 CDK9 KINASE INHIBITORS CDK9, CDK19, CDK10 LRRK2 783/4885DYRK1A 277/4885CCNT1 26/4885

“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.