Sugi Predict

Sugi Predict / Compounds / SCHEMBL4095076

SCHEMBL4095076

SCHEMBL4095076

CN1CC2CC1CN2c1nn(-c2ccnc(NCc3ccccc3)c2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.40
▸ CHRNA7 P36544 3/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ HRH4 Q9H3N8 2/20 0.37
▸ CCNT1 O60563 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ CHEK1 O14757 2/20 0.35
▸ MET P08581 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ BRAF P15056 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ HCK P08631 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ PRKCA P17252 1/20 0.35

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
SCHEMBL4094443 0.91 MAPK14 (0.39) NOS2CHRNA7KCNH2HRH4CCNT1
SCHEMBL4094677 0.90 MEN1 (0.36) CHRNA7KCNH2HRH4CCNT1CDK9
SCHEMBL4094568 0.89 NOS2 (0.39) NOS2HRH4CCNT1CDK9CHEK1
SCHEMBL4094799 0.89 NOS2 (0.38) NOS2HRH4CCNT1CDK9CHEK1
SCHEMBL4099608 0.84 MAOB (0.42) NOS2HRH4CHEK1METCDK2
SCHEMBL4089781 0.84 MAOB (0.42) NOS2HRH4CHEK1METCDK2
SCHEMBL4100799 0.81 MAPK14 (0.37) NOS2HRH4CCNT1CDK9BRAF
SCHEMBL4091469 0.81 MAPK14 (0.36) NOS2HRH4CCNT1MAPK14ACHE
SCHEMBL4089167 0.79 MEN1 (0.34) HRH4CCNT1CDK9MAPK14ACHE
SCHEMBL4098957 0.77 KHK (0.46) NOS2CCNT1CDK9BRAFMAPK14

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 5 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
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 — — US 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
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 — — 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 (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 NOS2 1022/4885CHRNA7 2222/4885KCNH2 3244/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 NOS2 937/4885CHRNA7 2142/4885KCNH2 3119/4885

“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.