SCHEMBL4565207

SCHEMBL4565207

COc1nc(C)ccc1C(=O)CC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.40
RECQL P46063 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CYP1A2 P05177 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP3A4 P08684 3/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
GPR6 P46095 1/20 0.36
CYP2C9 P11712 2/20 0.35
HPGD P15428 1/20 0.35
CYP2D6 P10635 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
SCHEMBL4561588 0.84 POLB (0.40) POLBTDP1GAAALDH1A1KDM4E
SCHEMBL949704 0.78 EGFR (0.46) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL20524577 0.77 POLB (0.47) POLBTDP1ALDH1A1KDM4EMAPT
SCHEMBL30989958 0.75 POLB (0.68) POLBTDP1ALDH1A1KDM4EMAPT
SCHEMBL5780074 0.75 POLB (0.68) POLBTDP1ALDH1A1KDM4EMAPT
SCHEMBL5013567 0.74 NNMT (0.54) POLBTDP1GAAALDH1A1KDM4E
SCHEMBL29903108 0.74 NNMT (0.54) POLBTDP1GAAALDH1A1KDM4E
SCHEMBL2027363 0.74 PDCD1 (0.52) POLBTDP1GAAALDH1A1KDM4E
SCHEMBL17607728 0.72 ALDH1A1 (0.42) GAARECQLALDH1A1KDM4EMAPT
SCHEMBL13035848 0.71 PLK1 (0.45) POLBTDP1GAARECQLALDH1A1

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
US-11634424-B2 Diazaindole derivative and use thereof as CHK1 inhibitor MEDSHINE DISCOVERY INC. (CN) 2023-04-25 US disclosed
US-20230017858-A1 DIAZAINDOLE DERIVATIVE AND USE THEREOF AS CHK1 INHIBITOR Shanghai Fosun Pharmaceutical Industrial Development Co., Ltd. (CN) 2023-01-19 US disclosed
WO-2021104461-A1 DIAZAINDOLE DERIVATIVE AND USE THEREOF AS CHK1 INHIBITOR 南京明德新药研发有限公司 2021-06-03 WO disclosed
US-9067920-B2 Compounds useful for inhibiting Chk1 ELI LILLY AND COMPANY (US) 2015-06-30 US disclosed
EP-2638033-B1 COMPOUNDS USEFUL FOR INHIBITING CHK1 LILLY CO ELI (US) 2015-04-08 EP disclosed
EP-2638033-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 Eli Lilly and Company (US) 2013-09-18 EP disclosed
US-20130190262-A1 Compounds Useful for Inhibiting Chk1 ELI LILLY AND COMPANY (US) 2013-07-25 US disclosed
WO-2012064548-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 ELI LILLY AND COMPANY (US) 2012-05-18 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 (3 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-20230017858-A1 DIAZAINDOLE DERIVATIVE AND USE THEREOF AS CHK1 INHIBITOR CHEK1, CHEK2, DDB1 POLB 142/4885TDP1 168/4885GAA 2460/4885
US-11634424-B2 Diazaindole derivative and use thereof as CHK1 inhibitor CHEK1, CHEK2, DDB1 POLB 142/4885TDP1 168/4885GAA 2460/4885
US-20130190262-A1 Compounds Useful for Inhibiting Chk1 CHEK1, CHEK2, PLK1 POLB 343/4885TDP1 288/4885GAA 3305/4885

“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.