SCHEMBL21471029

SCHEMBL21471029

CN1CCN(Cc2cc(F)c(NC(=O)Oc3ccccc3)cc2C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.49
BRAF P15056 3/20 0.49
KIT P10721 4/20 0.47
SRC P12931 3/20 0.47
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NR1H2 P55055 1/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
CDK8 P49336 1/20 0.44
EGFR P00533 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL21470483 0.92 MKNK2 (0.44) ABL1BRAFKITSRCNPSR1
SCHEMBL2435253 0.84 ABL1 (0.65) ABL1BRAFKITSRCNPSR1
Hydrochloric Acid SCHEMBL2435251 0.83 ABL1 (0.64) ABL1BRAFKITSRCNPSR1
SCHEMBL25802440 0.79 GAA (0.57) ABL1BRAFKITSRCNPSR1
SCHEMBL29739415 0.76 NPC1 (0.50) NPSR1GAAKDM4EALDH1A1KMT2A
SCHEMBL23326866 0.76 MKNK2 (0.58) ABL1BRAFKITSRCCDK2
SCHEMBL19502095 0.76 ABL1 (0.38) ABL1BRAFKITSRCPOLB
SCHEMBL29999023 0.76 MKNK2 (0.58) ABL1BRAFKITSRCCDK2
SCHEMBL21470482 0.76 GAA (0.48) ABL1BRAFKITSRCNPSR1
SCHEMBL28385421 0.75 RET (0.45) ABL1BRAFKITSRCCDK2

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 ABL1 551/4885BRAF 726/4885KIT 1130/4885

“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.