SCHEMBL14616216

SCHEMBL14616216

Cc1cnc2[nH]cc(I)c2n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.62
BRD4 O60885 2/20 0.37
SYK P43405 3/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
CHEK1 O14757 1/20 0.34
JAK3 P52333 4/20 0.32
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIM1 P11309 1/20 0.30
HASPIN Q8TF76 1/20 0.30

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
SCHEMBL21820855 0.85 MAPK1 (0.49) MAPK1BRD4SYKCHEK1PIM1
SCHEMBL7950769 0.80 MAPK1 (0.39) MAPK1SYKPDK2PDK4JAK3
SCHEMBL12657766 0.80 MAPK1 (0.67) MAPK1BRD4CHEK1
SCHEMBL30258999 0.77 MAPK1 (0.62) MAPK1BRD4CHEK1
SCHEMBL21821096 0.77 MAPK1 (0.62) MAPK1BRD4CHEK1
SCHEMBL650607 0.77 MAPK1 (0.62) MAPK1BRD4CHEK1JAK2
SCHEMBL16946856 0.77 MAPK1 (0.37) MAPK1SYKPDK2PDK4JAK3
SCHEMBL29488969 0.77 MAPK1 (1.00) MAPK1BRD4SYKCHEK1JAK3
SCHEMBL30259037 0.77 MAPK1 (0.62) MAPK1BRD4CHEK1JAK2
SCHEMBL13199608 0.77 JAK2 (0.40) MAPK1SYKPDK2PDK4JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555095-B1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2023-04-12 EP disclosed
US-10987354-B2 Inhibitors of influenza virus replication and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-04-27 US disclosed
EP-3317285-B1 CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TURNING POINT THERAPEUTICS INC (US) 2021-01-27 EP disclosed
CN-108218873-B Inhibitors of influenza virus replication and uses thereof 广东东阳光药业有限公司 2020-07-07 CN disclosed
US-20200085822-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-03-19 US disclosed
US-9309250-B2 Substituted pyrrolo[2,3-b]pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-12 US disclosed
US-9309250-B2 Substituted pyrrolo[2,3-b]pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-12 US disclosed
US-20150376187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2015-12-31 US disclosed
US-9096602-B2 Substituted pyrrolo[2,3-B]pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-04 US disclosed
US-9096602-B2 Substituted pyrrolo[2,3-B]pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-04 US disclosed
US-8822469-B2 Pyrrolo[2,3-B]pyrazines useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822469-B2 Pyrrolo[2,3-B]pyrazines useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-20130034616-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-20130018035-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 US disclosed
US-20130017273-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 US 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 (6 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-20150376187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885BRD4 1445/4885SYK 495/4885
US-20130018035-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885BRD4 1445/4885SYK 495/4885
US-10987354-B2 Inhibitors of influenza virus replication and uses thereof ZC3HAV1, MAVS, POLRMT MAPK1 2020/4885BRD4 1110/4885SYK 2497/4885
US-20130017273-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885BRD4 1445/4885SYK 495/4885
US-20130034616-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885BRD4 1445/4885SYK 495/4885
US-20200085822-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF ZC3HAV1, MAVS, POLRMT MAPK1 2020/4885BRD4 1110/4885SYK 2497/4885

“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.