SCHEMBL21470482

SCHEMBL21470482

CN1CCN(Cc2ncc(NC(=O)Oc3ccccc3)cc2C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ABL1 P00519 5/20 0.47
SRC P12931 6/20 0.46
BRAF P15056 3/20 0.44
EGFR P00533 2/20 0.44
KIT P10721 2/20 0.44
FGFR4 P22455 1/20 0.43
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
CDK8 P49336 1/20 0.43
RET P07949 3/20 0.43

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
SCHEMBL21465801 0.85 KIT (0.48) ABL1SRCBRAFEGFRKIT
SCHEMBL2435253 0.83 ABL1 (0.65) GAANPSR1ABL1SRCBRAF
Hydrochloric Acid SCHEMBL2435251 0.82 ABL1 (0.64) GAANPSR1ABL1SRCBRAF
SCHEMBL30486114 0.81 EGFR (0.46) ABL1SRCBRAFEGFRKIT
SCHEMBL21470953 0.78 MALT1 (0.46) GAANPSR1ABL1BRAF
SCHEMBL16895227 0.77 DDR1 (0.58) GAANPSR1ABL1BRAFKIT
SCHEMBL21471029 0.76 ABL1 (0.49) GAANPSR1ABL1SRCBRAF
SCHEMBL25802158 0.76 GAA (0.63) GAANPSR1BRAFCDK2
SCHEMBL29998870 0.76 GAA (0.63) GAANPSR1BRAFCDK2
SCHEMBL23326866 0.75 MKNK2 (0.58) ABL1SRCBRAFEGFRKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 GAA 580/4885NPSR1 2548/4885ABL1 551/4885

“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.