SCHEMBL30108641

SCHEMBL30108641

Clc1nnc(N[C@@H]2CCCNC2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 1/20 0.56
CHEK2 O96017 6/20 0.52
CHEK1 O14757 4/20 0.47
AURKA O14965 2/20 0.46
RPS6KB1 P23443 2/20 0.46
GOT1 P17174 1/20 0.45
CDK7 P50613 4/20 0.45
CCNT1 O60563 3/20 0.45
CCNK O75909 3/20 0.45
CDK9 P50750 3/20 0.45
CDK12 Q9NYV4 3/20 0.45
CCNH P51946 3/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
CRBN Q96SW2 1/20 0.45
PRKCI P41743 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL25858927 1.00 KDM4E (0.56) KDM4EHSD17B10CHEK2CHEK1AURKA
SCHEMBL25858603 1.00 KDM4E (0.56) KDM4EHSD17B10CHEK2CHEK1AURKA
SCHEMBL25295422 0.85 PRKCZ (0.54) CHEK1CDK7CCNT1CCNKCDK9
SCHEMBL25259939 0.85 PRKCZ (0.54) CHEK1CDK7CCNT1CCNKCDK9
SCHEMBL26614926 0.84 PDPK1 (0.45) KDM4EHSD17B10CHEK2CHEK1RPS6KB1
SCHEMBL26614931 0.84 PDPK1 (0.45) KDM4EHSD17B10CHEK2CHEK1RPS6KB1
SCHEMBL24855721 0.84 KDM4E (0.80) KDM4EHSD17B10GOT1ALDH1A1LMNA
SCHEMBL31719536 0.82 PDPK1 (0.52) CHEK1RPS6KB1CDK7CCNT1CCNK
SCHEMBL31057259 0.77 IL1B (0.44) CHEK2CHEK1CDK7CCNT1CCNK
SCHEMBL31091197 0.76 PRKCI (0.41) CHEK2CHEK1AURKARPS6KB1CDK7

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-20250152584-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-05-15 US disclosed
CN-119798221-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2025-04-11 CN disclosed
US-20240391881-A1 PHARMACEUTICAL USE AND PREPARATION METHOD FOR SUBSTITUTED HETEROARYL PHTHALAZINE DERIVATIVE ORIGIANT PHARMACEUTICAL CO., LTD. (CN) 2024-11-28 US disclosed
EP-4461729-A1 ANTIGEN BINDING PROTEIN TARGETING MSLN AND USE THEREOF Transthera Sciences (Nanjing), Inc. (CN) 2024-11-13 EP disclosed
EP-4410787-A1 PHARMACEUTICAL USE AND PREPARATION METHOD FOR SUBSTITUTED HETEROARYL PHTHALAZINE DERIVATIVE Origiant Pharmaceutical Co., Ltd (CN) 2024-08-07 EP disclosed
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN disclosed
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 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-20250152584-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF NLRP3, NLRP1, PYCARD KDM4E 4454/4885HSD17B10 1825/4885CHEK2 3752/4885
US-20240391881-A1 PHARMACEUTICAL USE AND PREPARATION METHOD FOR SUBSTITUTED HETEROARYL PHTHALAZINE DERIVATIVE NLRP3, NLRP1, NOD1 KDM4E 3999/4885HSD17B10 252/4885CHEK2 4777/4885

“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.