SCHEMBL18311452

SCHEMBL18311452

N#C/C(=C\c1cncc2cnccc12)c1c[nH]c2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 0.82
▸ KIF20A O95235 12/20 0.66
▸ DYRK1A Q13627 8/20 0.66
▸ CLK1 P49759 7/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CLK2 P49760 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ DYRK1B Q9Y463 1/20 0.48
▸ CHEK1 O14757 1/20 0.45

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
SCHEMBL21578427 0.92 PIP4K2A (0.79) PIP4K2AKIF20ADYRK1ACLK1MEN1
SCHEMBL18301172 0.90 PIP4K2A (1.00) PIP4K2AKIF20ADYRK1ACLK1MEN1
SCHEMBL18301135 0.90 PIP4K2A (1.00) PIP4K2AKIF20ADYRK1ACLK1MEN1
SCHEMBL15777900 0.82 PIP4K2A (0.66) PIP4K2AKIF20ADYRK1ACLK1MEN1
SCHEMBL15777901 0.82 PIP4K2A (0.66) PIP4K2AKIF20ADYRK1ACLK1MEN1
SCHEMBL20293903 0.81 PIP4K2A (0.77) PIP4K2AKIF20ADYRK1ACLK1MEN1
SCHEMBL2725529 0.80 KIF20A (1.00) PIP4K2AKIF20ADYRK1ACLK1MEN1
SCHEMBL29382113 0.80 KIF20A (1.00) PIP4K2AKIF20ADYRK1ACLK1MEN1
SCHEMBL2725764 0.80 KIF20A (1.00) PIP4K2AKIF20ADYRK1ACLK1MEN1
SCHEMBL2725524 0.80 KIF20A (1.00) PIP4K2AKIF20ADYRK1ACLK1MEN1

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 11 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
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-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 (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-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

“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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