SCHEMBL17815797

SCHEMBL17815797

Nc1nc(Cl)nc2c1ncn2-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 2/20 0.67
▸ PI4KA P42356 4/20 0.60
▸ PI4K2B Q8TCG2 4/20 0.60
▸ PI4K2A Q9BTU6 4/20 0.60
▸ PI4KB Q9UBF8 4/20 0.60
▸ EGFR P00533 1/20 0.60
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ CDK1 P06493 1/20 0.55
▸ XDH P47989 3/20 0.54
▸ ADORA2A P29274 2/20 0.48
▸ YTHDC1 Q96MU7 1/20 0.45
▸ PDE8A O60658 3/20 0.45
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ GRM1 Q13255 1/20 0.41

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
SCHEMBL22411631 0.86 CFTR (0.65) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL30331960 0.84 CYP2D6 (0.58) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL9383398 0.84 CYP2D6 (0.58) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL27886637 0.84 PI4KA (0.64) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL30677365 0.84 CYP2D6 (0.65) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL17802599 0.81 CFTR (0.67) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL22431902 0.81 CYP2D6 (0.55) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL17802607 0.80 CFTR (1.00) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL1654709 0.78 YTHDC1 (0.54) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL27388299 0.78 YTHDC1 (0.70) CYP2D6CYP2C9TSHRCYP2C19CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 — — US disclosed
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 — — US disclosed
WO-2020186220-A1 COMPOUNDS AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2020-09-17 — — WO disclosed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 — — US disclosed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 — — 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-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor MIF, MMP12, SLC11A2 CFTR 552/4885PI4KA 1759/4885PI4K2B 1615/4885
US-10414768-B2 Compounds for treating cystic fibrosis CFTR, ABCB11, SLC26A4 CFTR 1/4885PI4KA 3428/4885PI4K2B 3935/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 CFTR 1/4885PI4KA 3428/4885PI4K2B 3935/4885

“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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