SCHEMBL14488166

SCHEMBL14488166

Clc1nccc(NCC2CCCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
CCNT1 O60563 5/20 0.42
UTS2R Q9UKP6 2/20 0.42
GNRHR P30968 1/20 0.42
GRM4 Q14833 1/20 0.41
S1PR1 P21453 1/20 0.41
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
CCNB2 O95067 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
RET P07949 1/20 0.40
CCNB1 P14635 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL2588748 0.92 GNRHR (0.46) GPR39CCNT1UTS2RGNRHRMALT1
SCHEMBL19462025 0.85 CCNT1 (0.50) CCNT1GNRHR
SCHEMBL19462257 0.85 CCNT1 (0.51) CCNT1GNRHRROCK2IRAK4
SCHEMBL19462471 0.81 GNRHR (0.40) CCNT1GNRHRMALT1
SCHEMBL28267685 0.80 MALT1 (0.41) MEN1KMT2ACCNT1GNRHRMALT1
SCHEMBL19462426 0.78 GNRHR (0.41) CCNT1GNRHRMALT1
SCHEMBL19477186 0.77 CCNT1 (0.52) CCNT1GNRHR
SCHEMBL19462052 0.77 MALT1 (0.42) CCNT1GNRHRMALT1
SCHEMBL19174443 0.76 CTSK (0.60) MEN1KMT2ACDC7MAP4K4MALT1
SCHEMBL14554978 0.76 CLK4 (0.47) GPR39MEN1KMT2ACCNT1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285558-A Novel GSDMD inhibitor and preparation method and application thereof 四川大学 2025-01-10 CN disclosed
EP-2729459-B1 SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2018-08-22 EP disclosed
US-9199962-B2 Substituted azaheterocycles for the treatment of cancer MERCK PATENT GMBH (DE) 2015-12-01 US disclosed
US-9199962-B2 Substituted azaheterocycles for the treatment of cancer MERCK PATENT GMBH (DE) 2015-12-01 US disclosed
US-9199962-B2 Substituted azaheterocycles for the treatment of cancer MERCK PATENT GMBH (DE) 2015-12-01 US disclosed
US-20140221366-A1 Substituted Azaheterocycles for the Treatment of Cancer MERCK PATENT GMBH (DE) 2014-08-07 US disclosed
US-20140221366-A1 Substituted Azaheterocycles for the Treatment of Cancer MERCK PATENT GMBH (DE) 2014-08-07 US disclosed
US-20140221366-A1 Substituted Azaheterocycles for the Treatment of Cancer MERCK PATENT GMBH (DE) 2014-08-07 US disclosed
EP-2729459-A1 SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2014-05-14 EP disclosed
WO-2013004332-A1 SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2013-01-10 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 (1 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-20140221366-A1 Substituted Azaheterocycles for the Treatment of Cancer CCNH, CCNA1, MYC GPR39 2415/4885MEN1 1135/4885KMT2A 627/4885

“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.