SCHEMBL22084739

SCHEMBL22084739

Clc1ncnc2c1c(I)cn2-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.50
▸ PI4KA P42356 1/20 0.44
▸ PI4K2B Q8TCG2 1/20 0.44
▸ PI4K2A Q9BTU6 1/20 0.44
▸ PI4KB Q9UBF8 1/20 0.44
▸ CYP2A6 P11509 3/20 0.39
▸ CYP2E1 P05181 2/20 0.39
▸ PIK3CD O00329 3/20 0.39
▸ ADK P55263 5/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ SLC29A1 Q99808 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ABL1 P00519 2/20 0.35
▸ EGFR P00533 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ ABL2 P42684 2/20 0.35
▸ CDK1 P06493 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
SCHEMBL29484482 1.00 SRC (0.50) SRCPI4KAPI4K2BPI4K2API4KB
SCHEMBL398024 0.85 SRC (0.67) SRCADKCA12CA1CA2
SCHEMBL25065735 0.85 SRC (0.67) SRCADKCA12CA1CA2
SCHEMBL22032001 0.84 SRC (0.50) SRCADKSLC29A1CA12CA1
SCHEMBL16236479 0.83 PI4KB (0.57) SRCPI4KAPI4K2BPI4K2API4KB
SCHEMBL24072905 0.83 SRC (0.50) SRCPI4KAPI4K2BPI4K2API4KB
SCHEMBL29484520 0.83 PI4KB (0.57) SRCPI4KAPI4K2BPI4K2API4KB
Ammonia Solution, Strong SCHEMBL30181004 0.81 PI4KB (0.54) SRCPI4KAPI4K2BPI4K2API4KB
SCHEMBL30295090 0.81 SRC (0.50) SRCADKSLC29A1CA12CA1
SCHEMBL22086027 0.80 SRC (0.80) SRCCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 — — US disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 — — US disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 — — US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 — — US disclosed
WO-2021242505-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-02 — — WO disclosed
US-20210355130-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2021-11-18 — — US disclosed
US-11161852-B1 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2021-11-02 — — US disclosed
WO-2020115481-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-06-11 — — 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 (5 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-20210355130-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 SRC 639/4885PI4KA 308/4885PI4K2B 386/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 SRC 639/4885PI4KA 308/4885PI4K2B 386/4885
US-20230055250-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K5, MAP4K1 SRC 739/4885PI4KA 179/4885PI4K2B 341/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 SRC 3388/4885PI4KA 552/4885PI4K2B 502/4885
US-11161852-B1 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 SRC 639/4885PI4KA 308/4885PI4K2B 386/4885

“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.

Send feedback