SCHEMBL18080976

SCHEMBL18080976

CC(C)(C)OC(=O)N1C2C=C(c3cc(Cl)nnc3N)CC1CC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.39
JAK1 P23458 5/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SMARCA2 P51531 2/20 0.34
SMARCA4 P51532 2/20 0.34
PBRM1 Q86U86 2/20 0.34
PREP P48147 2/20 0.33
HSD11B1 P28845 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HDAC1 Q13547 1/20 0.32
STS P08842 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL25391608 0.94 WDR5 (0.36) WDR5JAK1CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL25391557 0.90 WDR5 (0.35) WDR5JAK1CHRM2CHRM1CHRM3
SCHEMBL18080978 0.86 JAK1 (0.37) JAK1CCNT1CDK9
SCHEMBL30606943 0.84 JAK1 (0.39) JAK1CCNT1CDK9
SCHEMBL18038693 0.79 JAK1 (0.35) JAK1
SCHEMBL29886061 0.77 SUV39H2 (0.43) WDR5CHRM2CHRM1CHRM3SUV39H2
SCHEMBL23214881 0.77 SUV39H2 (0.43) WDR5CHRM2CHRM1CHRM3SUV39H2
SCHEMBL25391797 0.77 PBRM1 (0.42) SMARCA2SMARCA4PBRM1
Hydrochloric Acid SCHEMBL25394127 0.77 JAK1 (0.34) JAK1CCNT1CDK9
SCHEMBL2880793 0.76 WDR5 (0.42) WDR5JAK1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 EP disclosed
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 EP disclosed
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
WO-2016138114-A1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-09-01 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 (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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 WDR5 499/4885JAK1 1030/4885CHRM2 262/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 WDR5 499/4885JAK1 1030/4885CHRM2 262/4885

“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.