SCHEMBL21465752

SCHEMBL21465752

CN1CCN(Cc2ncc(N)cc2C(F)(F)F)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.59
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
EGFR P00533 1/20 0.39
BRAF P15056 1/20 0.39
MAPT P10636 1/20 0.38
RET P07949 1/20 0.38
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
CDK8 P49336 1/20 0.37
KIT P10721 4/20 0.36
CHKA P35790 1/20 0.36
PTK2 Q05397 1/20 0.36
ABL1 P00519 4/20 0.36
SRC P12931 2/20 0.36
ABL2 P42684 1/20 0.35
MAP3K12 Q12852 1/20 0.35
BCR P11274 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
SCHEMBL24533977 0.83 NR1H2 (0.46) NR1H2ALDH1A1KDM4EPOLBEGFR
SCHEMBL31265738 0.83 ALOX5AP (0.42) NR1H2ALDH1A1KDM4ELMNAMAPT
SCHEMBL30486114 0.78 EGFR (0.46) EGFRBRAFRETCDK1CDK2
SCHEMBL21470484 0.77 FGFR4 (0.41) NR1H2ALDH1A1KDM4EPOLBEGFR
SCHEMBL21465801 0.76 KIT (0.48) EGFRBRAFKITABL1SRC
SCHEMBL28976260 0.75 SMN1; SMN2 (0.47) NR1H2ALDH1A1LMNAMAPT
SCHEMBL29626004 0.75 NR1H2 (0.63) NR1H2ALDH1A1KDM4EPOLBEGFR
SCHEMBL20214361 0.75 NR1H2 (0.63) NR1H2ALDH1A1KDM4EPOLBEGFR
SCHEMBL29493475 0.74 NR1H2 (1.00) NR1H2ALDH1A1KDM4EPOLBLMNA
SCHEMBL273351 0.74 NR1H2 (1.00) NR1H2ALDH1A1KDM4EPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250177382-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2025-06-05 US disclosed
US-20240317758-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-09-26 US disclosed
CN-117597346-A NEK7 inhibitors 哈利亚治疗公司 2024-02-23 CN disclosed
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 EP disclosed
WO-2022226182-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-27 WO disclosed
WO-2022216680-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-13 WO disclosed
WO-2022128850-A1 NOVEL ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-06-23 WO 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
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
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 (3 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 NR1H2 439/4885ALDH1A1 2060/4885KDM4E 1512/4885
US-20250177382-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 NR1H2 1673/4885ALDH1A1 3958/4885KDM4E 3092/4885
US-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 NR1H2 2147/4885ALDH1A1 4225/4885KDM4E 2804/4885

“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.