SCHEMBL17438145

SCHEMBL17438145

CC(=NNC(=O)c1ccc(F)cc1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 9/20 1.00
▸ NPC1 O15118 9/20 1.00
▸ RAB9A P51151 8/20 1.00
▸ OPRK1 P41145 5/20 0.78
▸ L3MBTL1 Q9Y468 2/20 0.78
▸ PKM P14618 1/20 0.70
▸ KMT2A Q03164 5/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ GAA P10253 6/20 0.64
▸ MAPT P10636 2/20 0.64
▸ TDP1 Q9NUW8 2/20 0.63
▸ MITF O75030 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ POLB P06746 1/20 0.61
▸ MAPK1 P28482 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ HSP90AA1 P07900 1/20 0.58

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
SCHEMBL15882844 1.00 AGTR1 (1.00) AGTR1NPC1RAB9AOPRK1L3MBTL1
SCHEMBL30826082 1.00 AGTR1 (1.00) AGTR1NPC1RAB9AOPRK1L3MBTL1
SCHEMBL12218079 1.00 AGTR1 (1.00) AGTR1NPC1RAB9AOPRK1L3MBTL1
SCHEMBL27178221 0.88 NPC1 (1.00) AGTR1NPC1RAB9AOPRK1L3MBTL1
SCHEMBL27178229 0.88 NPC1 (1.00) AGTR1NPC1RAB9AOPRK1L3MBTL1
SCHEMBL30826095 0.87 NPC1 (0.77) AGTR1NPC1RAB9AOPRK1L3MBTL1
SCHEMBL27178252 0.87 NPC1 (0.77) AGTR1NPC1RAB9AOPRK1L3MBTL1
SCHEMBL10801738 0.87 NPC1 (0.77) AGTR1NPC1RAB9AOPRK1L3MBTL1
SCHEMBL27178260 0.85 RAB9A (0.74) AGTR1NPC1RAB9AOPRK1L3MBTL1
SCHEMBL27177841 0.85 RAB9A (0.74) AGTR1NPC1RAB9AOPRK1L3MBTL1

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-4580403-A2 APYRASE INHIBITORS Texas Crop Science, Inc. (US) 2025-07-09 — — EP claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 — — US claimed
WO-2024050040-A2 APYRASE INHIBITORS TEXAS CROP SCIENCE (US) 2024-03-07 — — WO claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 — — US disclosed
US-10730848-B2 Protective molecules against anthrax toxin THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-04 — — US disclosed
US-20160016930-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-21 — — US 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-20160016930-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN ANTXR2, TSG101, ANXA1 AGTR1 1994/4885NPC1 2411/4885RAB9A 1236/4885
US-20240101510-A1 APYRASE INHIBITORS APEH, DPEP1, PON1 AGTR1 865/4885NPC1 2564/4885RAB9A 1387/4885
US-10730848-B2 Protective molecules against anthrax toxin ANTXR2, TSG101, ANXA1 AGTR1 1994/4885NPC1 2411/4885RAB9A 1236/4885

“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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