SCHEMBL1817153

SCHEMBL1817153

c1nc(NC2CCCC2)c2cc[nH]c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 1.00
IRAK4 Q9NWZ3 1/20 0.70
JAK1 P23458 6/20 0.68
JAK2 O60674 4/20 0.68
JAK3 P52333 8/20 0.59
CYP2D6 P10635 2/20 0.56
GRIN2B Q13224 2/20 0.56
KCNH2 Q12809 1/20 0.55

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
SCHEMBL1818948 0.93 HPGDS (0.88) HPGDSIRAK4JAK1JAK2JAK3
SCHEMBL31034574 0.89 HPGDS (0.79) HPGDSIRAK4JAK1JAK2JAK3
SCHEMBL31034708 0.89 HPGDS (0.79) HPGDSIRAK4JAK1JAK2JAK3
SCHEMBL20708124 0.88 HPGDS (0.78) HPGDSIRAK4JAK1JAK2JAK3
SCHEMBL30945085 0.88 HPGDS (0.78) HPGDSIRAK4JAK1JAK2JAK3
SCHEMBL31034653 0.88 HPGDS (0.78) HPGDSIRAK4JAK1JAK2JAK3
SCHEMBL1815412 0.86 HPGDS (0.76) HPGDSIRAK4JAK1JAK2JAK3
SCHEMBL16765136 0.86 HPGDS (0.74) HPGDSIRAK4JAK1JAK2JAK3
SCHEMBL18419023 0.86 HPGDS (0.74) HPGDSIRAK4JAK1JAK2JAK3
SCHEMBL16765135 0.86 HPGDS (0.74) HPGDSIRAK4JAK1JAK2JAK3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
CN-105906631-A Compounds and methods for kinase modulation, and indications therefor 普莱希科公司 2016-08-31 CN disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
CN-102740698-A Compounds and methods for kinase modulation and indications therefor PLEXXIKON INC 2012-10-17 CN disclosed
EP-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 WO disclosed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 WO disclosed
US-7435739-B2 Substituted pyrrolopyrimidines useful in the treatment of cancer CHEN JINSHAN 2008-10-14 US disclosed
US-20050130994-A1 Pyrrolopyre compounds useful in treatment of cancer PFIZER INC 2005-06-16 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 (3 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-20050130994-A1 Pyrrolopyre compounds useful in treatment of cancer TP53, CCNT1, CCNE1 HPGDS 513/4885IRAK4 2261/4885JAK1 376/4885
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, KRAS, RAF1 HPGDS 566/4885IRAK4 1140/4885JAK1 210/4885
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, KRAS, RAF1 HPGDS 566/4885IRAK4 1140/4885JAK1 210/4885

“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.