SCHEMBL24424978

SCHEMBL24424978

Cc1nc2c(F)c(Br)c(Cl)cc2c(N2CCN(C(=O)OC(C)(C)C)CC2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
GPR119 Q8TDV5 5/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MAPK8 P45983 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
KRAS P01116 2/20 0.36
DPP4 P27487 1/20 0.36
NSD2 O96028 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35

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
SCHEMBL29876522 0.92 KCNH2 (0.49) KCNH2GPR119NR1H2NR1H3MAPK8
SCHEMBL18128549 0.92 KCNH2 (0.49) KCNH2GPR119NR1H2NR1H3MAPK8
SCHEMBL24425207 0.91 KCNH2 (0.48) KCNH2GPR119NR1H2NR1H3MAPK8
SCHEMBL18164041 0.90 KCNH2 (0.47) KCNH2GPR119NR1H2NR1H3MAPK8
SCHEMBL24425212 0.89 KCNH2 (0.48) KCNH2GPR119NR1H2NR1H3MAPK8
SCHEMBL24424987 0.88 KCNH2 (0.45) KCNH2GPR119NR1H2NR1H3MAPK8
SCHEMBL25384534 0.87 KRAS (0.37) KCNH2KRASCYP3A4CYP3A5
SCHEMBL25384291 0.87 KCNH2 (0.44) KCNH2GPR119NR1H2NR1H3MAPK8
SCHEMBL31658079 0.85 KCNH2 (0.43) KCNH2GPR119NR1H2NR1H3MAPK8
SCHEMBL18128568 0.85 KCNH2 (0.43) KCNH2GPR119NR1H2NR1H3MAPK8

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-20230406849-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2023-12-21 US disclosed
CN-116867779-A KRAS inhibitors for cancer treatment 泰励生物科技(上海)有限公司 2023-10-10 CN disclosed
EP-4242207-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS Tyligand Bioscience (Shanghai) Limited (CN) 2023-09-13 EP disclosed
EP-4242207-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS Tyligand Bioscience (Shanghai) Limited (CN) 2023-09-13 EP disclosed
CN-114920738-A KRas inhibitors for cancer treatment 泰励生物科技(上海)有限公司 2022-08-19 CN disclosed
WO-2022095960-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS 泰励生物科技(上海)有限公司 2022-05-12 WO disclosed
WO-2022095960-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS 泰励生物科技(上海)有限公司 2022-05-12 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-20230406849-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS KRAS, NRAS, HRAS KCNH2 4354/4885GPR119 2832/4885NR1H2 2505/4885

“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.