SCHEMBL29270331

SCHEMBL29270331

FC(F)(F)c1cc(N[C@@H]2CCCNC2)nnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IL1B P01584 4/20 0.48
NLRP3 Q96P20 1/20 0.48
PIM1 P11309 1/20 0.46
CCNK O75909 10/20 0.44
CDK12 Q9NYV4 10/20 0.44
CDK2 P24941 10/20 0.44
CCNT1 O60563 9/20 0.44
CCNE1 P24864 9/20 0.44
CDK9 P50750 9/20 0.44
IDH2 P48735 1/20 0.43
CDK7 P50613 2/20 0.39
CCNH P51946 2/20 0.39
MNAT1 P51948 2/20 0.39
CHEK1 O14757 3/20 0.39
MAPKAPK2 P49137 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 SCHEMBL31367812 0.99 IL1B (0.47) IL1BNLRP3PIM1CCNKCDK12
SCHEMBL25297096 0.80 IL1B (0.48) IL1BNLRP3PIM1CCNKCDK12
SCHEMBL25252231 0.80 IL1B (0.48) IL1BNLRP3PIM1CCNKCDK12
SCHEMBL30834046 0.80 IL1B (0.41) IL1BNLRP3PIM1CCNKCDK12
SCHEMBL30833876 0.80 IL1B (0.41) IL1BNLRP3PIM1CCNKCDK12
SCHEMBL25254743 0.79 IL1B (0.40) IL1BNLRP3PIM1CDK2CCNT1
SCHEMBL25303286 0.79 IL1B (0.40) IL1BNLRP3PIM1CDK2CCNT1
SCHEMBL23933704 0.79 IL1B (0.38) IL1BNLRP3
SCHEMBL23956989 0.79 IL1B (0.38) IL1BNLRP3
Hydrochloric Acid SCHEMBL31057109 0.79 IL1B (0.47) IL1BNLRP3PIM1CCNKCDK12

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-20250353830-A1 NOVEL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-11-20 US disclosed
EP-4613749-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2025-09-10 EP disclosed
US-20240308977-A1 PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 HOFFMANN-LA ROCHE INC. (US) 2024-09-19 US disclosed
CN-118265701-A Pyridazine derivatives as inhibitors of NLRP3 豪夫迈·罗氏有限公司 2024-06-28 CN disclosed
CN-117986258-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2024-05-07 CN 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-20240308977-A1 PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 NLRP3, NLRP1, PYCARD IL1B 8/4885NLRP3 1/4885PIM1 3555/4885
US-20250353830-A1 NOVEL COMPOUNDS UQCRB, CCNB3, C5 IL1B 2984/4885NLRP3 3745/4885PIM1 3919/4885

“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.