SCHEMBL23335993

SCHEMBL23335993

NC1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ LCAT P04180 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ OGA O60502 6/20 0.41
▸ GPR119 Q8TDV5 3/20 0.41
▸ PTPN11 Q06124 1/20 0.40
▸ CXCR3 P49682 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38

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
Hydrochloric Acid SCHEMBL23296834 0.98 IDH2 (0.47) IDH2KDM4EABL1LMNALCAT
SCHEMBL21624807 0.90 CAMK1D (0.45) IDH2KDM4EABL1LMNAKCNH2
SCHEMBL21624806 0.90 CAMK1D (0.45) IDH2KDM4EABL1LMNAKCNH2
SCHEMBL12412568 0.83 PTPN11 (0.40) IDH2GPR119PTPN11
SCHEMBL355858 0.83 LCAT (0.48) IDH2KDM4EABL1LMNALCAT
SCHEMBL19741318 0.82 HRH4 (0.44) OGACHRM2
SCHEMBL20064015 0.80 SIGMAR1 (0.45) CYP3A4PTPN11
SCHEMBL24968333 0.80 OGA (0.46) IDH2KDM4ELCATOGACXCR3
Hydrochloric Acid SCHEMBL31381926 0.79 LMNA (0.47) KDM4EABL1LMNAPARP1CHRM2
SCHEMBL23296939 0.79 OGA (0.41) LCATCYP3A4OGAGPR119PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217968-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-07-04 — — US disclosed
WO-2023185073-A1 PARP7 INHIBITOR AND USE THEREOF 诺沃斯达药业(上海)有限公司 2023-10-05 — — WO disclosed
US-11691969-B2 Pyridazinones as PARP7 inhibtors RIBON THERAPEUTICS, INC. (US) 2023-07-04 — — US disclosed
US-11691969-B2 Pyridazinones as PARP7 inhibtors RIBON THERAPEUTICS, INC. (US) 2023-07-04 — — US disclosed
WO-2023001247-A1 PYRIDAZINONE COMPOUND 南京明德新药研发有限公司 2023-01-26 — — WO disclosed
US-20210130342-A1 PYRIDAZINONES AS PARP7 INHIBITORS ANKURA TRUST COMPANY, LLC, AS COLLATERAL TRUSTEE 2021-05-06 — — US disclosed
WO-2021087025-A1 PYRIDAZINONES AS PARP7 INHIBITORS RIBON THERAPEUTICS, INC. (US) 2021-05-06 — — 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-20240217968-A1 PHARMACEUTICAL COMPOUND F11, F12, ZYX IDH2 3553/4885KDM4E 3028/4885ABL1 2789/4885
US-20210130342-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 IDH2 337/4885KDM4E 929/4885ABL1 1004/4885
US-11691969-B2 Pyridazinones as PARP7 inhibtors PARP2, PARP1, PARP4 IDH2 211/4885KDM4E 1264/4885ABL1 1095/4885

“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.

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