SCHEMBL18301172

SCHEMBL18301172

N#C/C(=C\c1cccc2cnccc12)c1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 2/20 1.00
▸ KIF20A O95235 12/20 0.65
▸ DYRK1A Q13627 9/20 0.65
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CLK1 P49759 7/20 0.49
▸ CLK2 P49760 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47

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
SCHEMBL18301135 1.00 PIP4K2A (1.00) PIP4K2AKIF20ADYRK1AMEN1NPC1
SCHEMBL18311452 0.90 PIP4K2A (0.82) PIP4K2AKIF20ADYRK1AMEN1NPC1
SCHEMBL21578427 0.89 PIP4K2A (0.79) PIP4K2AKIF20ADYRK1AMEN1NPC1
SCHEMBL20293903 0.87 PIP4K2A (0.77) PIP4K2AKIF20ADYRK1AMEN1NPC1
SCHEMBL18301130 0.86 PIP4K2A (0.76) PIP4K2AKIF20ADYRK1AMEN1KMT2A
SCHEMBL18301129 0.86 PIP4K2A (0.76) PIP4K2AKIF20ADYRK1AMEN1KMT2A
SCHEMBL20293907 0.86 PIP4K2A (0.76) PIP4K2AKIF20ADYRK1ACLK1CLK2
SCHEMBL18301139 0.86 PIP4K2A (0.76) PIP4K2AKIF20ADYRK1AMEN1KMT2A
SCHEMBL18301105 0.86 PIP4K2A (0.76) PIP4K2AKIF20ADYRK1ACLK1CLK2
SCHEMBL18301140 0.86 PIP4K2A (0.76) PIP4K2AKIF20ADYRK1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307724-B1 (Z)-2-(1H-INDOL-3-YL)-3-(ISOQUINOLIN-5-YL)ACRYLONITRILE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOSOME INHIBITORY AND ANTI-MITOTIC ACTIVITY FOR TREATING HYPERPROLIFERATIVE DISEASES NAT UNIV SINGAPORE (SG) 2020-06-10 — — EP claimed
US-10308631-B2 Selective anti-cancer compounds NATIONAL UNIVERSITY OF SINGAPORE (SG) 2019-06-04 — — US claimed
US-20180179178-A1 SELECTIVE ANTI-CANCER COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2018-06-28 — — US claimed
EP-3307724-B1 (Z)-2-(1H-INDOL-3-YL)-3-(ISOQUINOLIN-5-YL)ACRYLONITRILE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOSOME INHIBITORY AND ANTI-MITOTIC ACTIVITY FOR TREATING HYPERPROLIFERATIVE DISEASES NAT UNIV SINGAPORE (SG) 2020-06-10 — — EP disclosed
EP-3307724-B1 (Z)-2-(1H-INDOL-3-YL)-3-(ISOQUINOLIN-5-YL)ACRYLONITRILE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOSOME INHIBITORY AND ANTI-MITOTIC ACTIVITY FOR TREATING HYPERPROLIFERATIVE DISEASES NAT UNIV SINGAPORE (SG) 2020-06-10 — — EP disclosed
EP-3307724-B1 (Z)-2-(1H-INDOL-3-YL)-3-(ISOQUINOLIN-5-YL)ACRYLONITRILE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOSOME INHIBITORY AND ANTI-MITOTIC ACTIVITY FOR TREATING HYPERPROLIFERATIVE DISEASES NAT UNIV SINGAPORE (SG) 2020-06-10 — — EP disclosed
US-20190350964-A1 ANTI-CANCER COMPOUNDS AND USES THEREOF NAT UNIV SINGAPORE (SG) 2019-11-21 — — US disclosed
US-20190350964-A1 ANTI-CANCER COMPOUNDS AND USES THEREOF NAT UNIV SINGAPORE (SG) 2019-11-21 — — US disclosed
EP-3551184-A1 ANTI-CANCER COMPOUNDS AND USES THEREOF National University of Singapore (SG) 2019-10-16 — — EP disclosed
US-10308631-B2 Selective anti-cancer compounds NATIONAL UNIVERSITY OF SINGAPORE (SG) 2019-06-04 — — US disclosed
US-10308631-B2 Selective anti-cancer compounds NATIONAL UNIVERSITY OF SINGAPORE (SG) 2019-06-04 — — US disclosed
US-20180179178-A1 SELECTIVE ANTI-CANCER COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2018-06-28 — — US disclosed
US-20180179178-A1 SELECTIVE ANTI-CANCER COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2018-06-28 — — US disclosed
US-20180179178-A1 SELECTIVE ANTI-CANCER COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2018-06-28 — — US disclosed
WO-2018106192-A1 ANTI-CANCER COMPOUNDS AND USES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2018-06-14 — — WO disclosed
EP-3307724-A1 SELECTIVE ANTI-CANCER COMPOUNDS National University of Singapore (SG) 2018-04-18 — — EP disclosed
WO-2016200339-A1 SELECTIVE ANTI-CANCER COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-12-15 — — WO disclosed
WO-2016200339-A1 SELECTIVE ANTI-CANCER COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-12-15 — — 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-10308631-B2 Selective anti-cancer compounds CCNA1, CCNY, CCNT1 PIP4K2A 2352/4885KIF20A 3183/4885DYRK1A 1879/4885
US-20180179178-A1 SELECTIVE ANTI-CANCER COMPOUNDS CCNA1, CCNY, CCNT1 PIP4K2A 2352/4885KIF20A 3183/4885DYRK1A 1879/4885
US-20190350964-A1 ANTI-CANCER COMPOUNDS AND USES THEREOF PIK3CD, PIK3CA, PI4KB PIP4K2A 22/4885KIF20A 2768/4885DYRK1A 3263/4885

“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.

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