SCHEMBL4379779

SCHEMBL4379779

CCN1CCN(c2ccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)cc2OC)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.60
JAK2 O60674 11/20 0.57
RAD52 P43351 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
JAK3 P52333 1/20 0.52
PAK1 Q13153 1/20 0.52
ACVR1 Q04771 1/20 0.51
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
HDAC6 Q9UBN7 3/20 0.49
CCNT1 O60563 1/20 0.49
CDK9 P50750 1/20 0.49
IKBKB O14920 2/20 0.49
CHUK O15111 1/20 0.49
HDAC1 Q13547 2/20 0.47

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
SCHEMBL4385351 0.91 ZAP70 (0.57) ZAP70JAK2JAK3ACVR1PDGFRB
SCHEMBL4376766 0.88 JAK2 (0.72) ZAP70JAK2JAK3CCNT1CDK9
SCHEMBL4558021 0.86 ZAP70 (0.59) ZAP70JAK2JAK3ACVR1PDGFRB
SCHEMBL4383652 0.85 JAK2 (0.60) ZAP70JAK2JAK3ACVR1PDGFRB
SCHEMBL4377671 0.84 JAK2 (0.80) JAK2RAD52RECQLBLMJAK3
SCHEMBL4378231 0.83 JAK2 (0.51) ZAP70JAK2RAD52RECQLBLM
SCHEMBL4383649 0.82 ZAP70 (0.52) ZAP70JAK2JAK3ACVR1PDGFRB
SCHEMBL4378157 0.81 JAK2 (0.66) JAK2RAD52RECQLBLMJAK3
SCHEMBL4376839 0.81 JAK2 (0.56) ZAP70JAK2JAK3
SCHEMBL4383496 0.81 JAK2 (0.59) ZAP70JAK2JAK3HDAC6CCNT1

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
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed
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-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
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
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-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 (1 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 ZAP70 38/4885JAK2 1/4885RAD52 3061/4885

“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.