SCHEMBL4378433

SCHEMBL4378433

N#Cc1ccc(-c2ccnc(Cl)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KMO O15229 2/20 0.47
IKBKB O14920 3/20 0.46
GAA P10253 1/20 0.44
JAK2 O60674 1/20 0.43
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
KDM4E B2RXH2 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP19A1 P11511 1/20 0.40
CHUK O15111 1/20 0.39
PPARG P37231 1/20 0.39
RHEB Q15382 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MYC P01106 1/20 0.38
MMP3 P08254 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
SCHEMBL8886940 0.81 ABCG2 (0.53) MEN1KMT2AKMOIKBKBGAA
SCHEMBL7260264 0.80 CLK4 (0.54) KMO
SCHEMBL19868516 0.79 MEN1 (0.55) MEN1KMT2AGAAMAPTCASP1
SCHEMBL13989128 0.79 GRM5 (0.48) KMO
SCHEMBL31390953 0.79 CYP11B2 (0.42) KMOCYP11B2
SCHEMBL441888 0.79 MAPT (0.59) MEN1KMT2AKMOIKBKBGAA
SCHEMBL31390918 0.78 KMO (0.44) KMOMAPTKDM4EEGLN2
SCHEMBL31390829 0.78 KMO (0.44) KMOMAPTKDM4EEGLN2
SCHEMBL446173 0.77 MEN1 (0.58) MEN1KMT2AKMOGAAMAPT
SCHEMBL8842521 0.76 ABCG2 (0.62) MEN1KMT2AMAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793527-B2 Adenosine monophosphate-activated protein kinase agonist NATIONAL YANG-MING UNIVERSITY (TW) 2020-10-06 US disclosed
US-20190194142-A1 AN ADENOSINE MONOPHOSPHATE-ACTIVATED PROTEIN KINASE AGONIST NATIONAL YANG-MING UNIVERSITY (TW) 2019-06-27 US disclosed
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 US disclosed
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 US disclosed
CN-101421250-A 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as jak-2 modulators and pharmaceutical compositions containing them EXELIXIS INC (US) 2009-04-29 CN disclosed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
EP-1979329-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2008-10-15 EP disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 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 (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-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use JAK2, JAK1, JAK3 MEN1 4690/4885KMT2A 544/4885KMO 1513/4885
US-20190194142-A1 AN ADENOSINE MONOPHOSPHATE-ACTIVATED PROTEIN KINASE AGONIST PRKAG1, PRKAG2, PRKAB1 MEN1 3893/4885KMT2A 3228/4885KMO 3133/4885
US-10793527-B2 Adenosine monophosphate-activated protein kinase agonist PRKAG1, PRKAG2, PRKAB1 MEN1 3943/4885KMT2A 3162/4885KMO 2612/4885

“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.