SCHEMBL21986817

SCHEMBL21986817

Cc1ccc2nn(C3CCCCO3)nc2c1CO

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ ATR Q13535 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ FGFR2 P21802 1/20 0.30
▸ FGFR4 P22455 1/20 0.30
▸ FGFR3 P22607 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL21986862 0.88 CYP4F2 (0.33) CYP4F2CYP4A11ATRABL1NPC1
SCHEMBL21986801 0.88 CYP4F2 (0.33) CYP4F2CYP4A11ATRABL1NPC1
SCHEMBL21986849 0.85 FGFR1 (0.34) ATRNPC1CYP2C19RAB9AMEN1
SCHEMBL21986700 0.77 ATR (0.36) CYP4F2CYP4A11ATRABL1NPC1
SCHEMBL21986745 0.75 ATR (0.33) ATRCYP2C19FGFR1FGFR2FGFR4
SCHEMBL21986774 0.75 CYP4F2 (0.39) CYP4F2CYP4A11ATRMEN1KMT2A
SCHEMBL21986748 0.75 CYP4F2 (0.39) CYP4F2CYP4A11ATRABL1NPC1
SCHEMBL11911433 0.71 ABL1 (0.38) CYP4F2CYP4A11ABL1NPC1CYP2C19
SCHEMBL21986808 0.70 SLC6A3 (0.39) ATRABL1NPC1RAB9AMEN1
SCHEMBL21986791 0.69 ALDH1A1 (0.36) ATRMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 — — EP disclosed
US-11713311-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-01 — — US disclosed
US-20220388995-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-08 — — US disclosed
US-11230541-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 — — US disclosed
US-20200231579-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 — — US disclosed
EP-3660003-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-03 — — EP 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-11230541-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885ATR 3544/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885ATR 3544/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885ATR 3544/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B CYP4F2 4162/4885CYP4A11 3116/4885ATR 3544/4885

“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.

Send feedback