SCHEMBL19970146

SCHEMBL19970146

Cc1n[nH]c2cnc(Cl)nc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
PDPK1 O15530 1/20 0.33
YTHDC1 Q96MU7 1/20 0.33
CYP1A2 P05177 1/20 0.31
JUN P05412 2/20 0.30
NFKB1 P19838 2/20 0.30
NFKB2 Q00653 2/20 0.30
RELA Q04206 2/20 0.30
TSHR P16473 1/20 0.30
EGFR P00533 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21846793 0.80 ADORA2A (0.35) ADORA2AADORA2BPDPK1CYP1A2TSHR
SCHEMBL4037999 0.80 TYRO3 (0.44) TYRO3DYRK1BKDM4EJUNNFKB1
SCHEMBL16525458 0.77 TYRO3 (0.42) TYRO3DYRK1BKDM4EJUNNFKB1
SCHEMBL30968125 0.77 TYRO3 (0.42) TYRO3DYRK1BKDM4EJUNNFKB1
SCHEMBL29454447 0.77 TYRO3 (0.42) TYRO3DYRK1BKDM4EJUNNFKB1
SCHEMBL4997914 0.73 TYRO3 (0.42) TYRO3DYRK1BKDM4EADORA2AADORA2B
SCHEMBL24122263 0.73 MAP4K1 (0.32) KDM4EADORA2AADORA2BPDPK1SMN1; SMN2
SCHEMBL22639020 0.73 CSNK1A1 (0.40) TYRO3DYRK1BKDM4EALDH1A1
SCHEMBL4099666 0.72 TYRO3 (0.41) TYRO3DYRK1BKDM4EALDH1A1
SCHEMBL20298327 0.71 ADORA2A (0.38) ADORA2AADORA2BPDPK1CYP1A2TSHR

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-20240368127-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-11-07 US disclosed
US-20240034736-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-02-01 US disclosed
WO-2023043836-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2023-03-23 WO disclosed
WO-2021254493-A1 CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2021-12-23 WO disclosed
WO-2018049152-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 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 (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-20240034736-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 TYRO3 4802/4885DYRK1B 4005/4885KDM4E 3909/4885
US-20240368127-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 TYRO3 4802/4885DYRK1B 4005/4885KDM4E 3909/4885

“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.