SCHEMBL21639749

SCHEMBL21639749

CSc1ccc(CSc2ncnc3[nH]cnc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 12/20 0.64
DBF4 Q9UBU7 12/20 0.64
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL31186595 1.00 CDC7 (0.64) CDC7DBF4HPGDL3MBTL1ALDH1A1
SCHEMBL21639774 0.83 CDC7 (0.63) CDC7DBF4HPGDL3MBTL1ALDH1A1
SCHEMBL21639726 0.83 CDC7 (0.63) CDC7DBF4HPGDL3MBTL1ALDH1A1
SCHEMBL31186606 0.83 CDC7 (0.63) CDC7DBF4HPGDL3MBTL1ALDH1A1
SCHEMBL6661284 0.83 HTT (0.63) CDC7DBF4HPGDL3MBTL1ALDH1A1
SCHEMBL14228864 0.83 CDC7 (0.49) CDC7DBF4HPGDL3MBTL1ALDH1A1
SCHEMBL31186608 0.83 CDC7 (0.63) CDC7DBF4HPGDL3MBTL1ALDH1A1
SCHEMBL2120063 0.83 CDC7 (0.61) CDC7DBF4HPGDL3MBTL1ALDH1A1
SCHEMBL31186612 0.83 CDC7 (0.61) CDC7DBF4HPGDL3MBTL1ALDH1A1
SCHEMBL21639746 0.80 CDC7 (0.65) CDC7DBF4HPGDL3MBTL1ALDH1A1

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
EP-3604310-B1 CDC-7-INHIBITOR COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS CONSEJO SUPERIOR INVESTIGACION (ES) 2024-09-11 EP claimed
US-20200093828-A1 CDC-7-INHIBITOR COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2020-03-26 US claimed
EP-3604310-A1 CDC-7-INHIBITOR COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-02-05 EP claimed
EP-3604310-B1 CDC-7-INHIBITOR COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS CONSEJO SUPERIOR INVESTIGACION (ES) 2024-09-11 EP disclosed
US-11446304-B2 CDC-7-inhibitor compounds and use thereof for the treatment of neurological conditions CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2022-09-20 US disclosed
US-20200093828-A1 CDC-7-INHIBITOR COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2020-03-26 US disclosed
EP-3604310-A1 CDC-7-INHIBITOR COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-02-05 EP 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-20200093828-A1 CDC-7-INHIBITOR COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS CDC7, TARDBP, CDC14A CDC7 1/4885DBF4 171/4885HPGD 4530/4885
US-11446304-B2 CDC-7-inhibitor compounds and use thereof for the treatment of neurological conditions CDC7, TARDBP, CDC14A CDC7 1/4885DBF4 171/4885HPGD 4530/4885

“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.