SCHEMBL4094677

SCHEMBL4094677

CN1CC2CC1CN2c1nn(-c2ccnc(NCc3ccccc3F)c2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRAF P15056 8/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAP4K1 Q92918 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
RAF1 P04049 1/20 0.34
LCK P06239 1/20 0.34
YES1 P07947 1/20 0.34
RET P07949 1/20 0.34
EPHA1 P21709 1/20 0.34
TEK Q02763 1/20 0.34
MAPK14 Q16539 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL4095076 0.90 NOS2 (0.40) BRAFCCNT1CDK9TP53ABL1
SCHEMBL4089167 0.89 MEN1 (0.34) MEN1KMT2ACCNT1CDK9TP53
SCHEMBL4094561 0.86 KHK (0.38) MEN1KMT2ABRAFCCNT1CDK9
SCHEMBL4094443 0.85 MAPK14 (0.39) BRAFCCNT1CDK9ABL1MAPK14
SCHEMBL4094568 0.79 NOS2 (0.39) MEN1KMT2ABRAFCCNT1CDK9
SCHEMBL4094799 0.79 NOS2 (0.38) MEN1KMT2ACCNT1CDK9TP53
SCHEMBL4100799 0.75 MAPK14 (0.37) BRAFCCNT1CDK9MAPK14HRH4
SCHEMBL4099608 0.74 MAOB (0.42) BRAFEGFRRETHRH4
SCHEMBL4089781 0.74 MAOB (0.42) BRAFEGFRRETHRH4
SCHEMBL4091469 0.74 MAPK14 (0.36) CCNT1MAPK14HRH4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US claimed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP claimed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US claimed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 WO claimed
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US disclosed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MEN1 255/4885KMT2A 2985/4885BRAF 20/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MEN1 344/4885KMT2A 3114/4885BRAF 19/4885

“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.