Sugi Predict

Sugi Predict / Compounds / SCHEMBL10172489

SCHEMBL10172489

SCHEMBL10172489

CCNC(=O)C1(C(=O)N(C)c2ccccc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ OPRM1 P35372 2/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ AGTR2 P50052 1/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ESR1 P03372 1/20 0.32

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
SCHEMBL14817505 0.85 DDB1 (0.42) DDB1CRBNOPRM1OPRL1ALDH1A1
SCHEMBL19027042 0.84 DDB1 (0.41) DDB1CRBNALDH1A1HSD11B1AGTR2
SCHEMBL10202147 0.82 DDB1 (0.40) DDB1CRBNALDH1A1HSD11B1AGTR2
SCHEMBL14045178 0.81 OPRM1 (0.46) OPRM1OPRL1ALDH1A1TSHRNPC1
SCHEMBL17993539 0.79 DDB1 (0.44) DDB1CRBNOPRM1OPRL1ALDH1A1
SCHEMBL13620068 0.78 AGTR2 (0.37) OPRM1OPRL1ALDH1A1TSHRAGTR2
SCHEMBL10272598 0.77 DDB1 (0.45) DDB1CRBNOPRM1ALDH1A1KCNH2
SCHEMBL18516599 0.74 DDB1 (0.47) DDB1CRBNOPRM1ALDH1A1KCNH2
SCHEMBL10289222 0.74 SMN1; SMN2 (0.47) ALDH1A1NPSR1NPC1GAARAB9A
SCHEMBL13619742 0.73 ALDH1A1 (0.42) DDB1CRBNALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 — — US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 — — US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 — — US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 — — 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 (4 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 DDB1 1732/4885CRBN 1225/4885OPRM1 4115/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 DDB1 1732/4885CRBN 1225/4885OPRM1 4115/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET DDB1 1754/4885CRBN 1050/4885OPRM1 3427/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 DDB1 1504/4885CRBN 834/4885OPRM1 4750/4885

“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.