SCHEMBL2060438

SCHEMBL2060438

COc1ccccc1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.65
CDK7 P50613 1/20 0.59
CDK9 P50750 1/20 0.59
ALK Q9UM73 7/20 0.58
INSR P06213 5/20 0.58
IGF1R P08069 5/20 0.58
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
EGFR P00533 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MAPK3 P27361 1/20 0.48
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
ABL1 P00519 1/20 0.46
YES1 P07947 1/20 0.46

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
SCHEMBL30395442 1.00 LRRK2 (0.65) LRRK2CDK7CDK9ALKINSR
SCHEMBL27751334 0.87 MAPT (0.56) LRRK2CDK7CDK9ALKINSR
SCHEMBL2062308 0.86 HTT (0.50) LRRK2CDK7CDK9ALKINSR
SCHEMBL4376989 0.86 AURKA (0.61) LRRK2CDK7CDK9ALKINSR
SCHEMBL2843128 0.86 ALK (0.58) LRRK2CDK7CDK9ALKINSR
SCHEMBL2062863 0.85 LRRK2 (0.49) LRRK2CDK7CDK9ALKINSR
SCHEMBL28350832 0.85 LRRK2 (0.49) LRRK2CDK7CDK9ALKINSR
SCHEMBL2060975 0.83 HPGD (0.49) LRRK2ALKINSRIGF1RKMT2A
SCHEMBL28350828 0.82 LRRK2 (0.46) LRRK2CDK7CDK9ALKINSR
SCHEMBL16684856 0.82 KMT2A (0.49) LRRK2CDK7CDK9ALKIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063393-A 2, 4-Diaminopyrimidine derivative and preparation method and application thereof 中国科学院上海药物研究所 2024-05-24 CN disclosed
CN-111620852-B 5-chloro-pyrimidine-2, 4-diamine compound, and preparation method and application thereof 镇江植生源农业科技有限公司 2023-05-09 CN disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 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 (2 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET LRRK2 885/4885CDK7 570/4885CDK9 539/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET LRRK2 885/4885CDK7 570/4885CDK9 539/4885

“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.