SCHEMBL24852006

SCHEMBL24852006

O=c1[nH]c2ccccc2cc1Cc1nnc(-c2cc(Cl)ccc2Cl)o1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.52
▸ ERBB2 P04626 6/20 0.52
▸ GUSB P08236 3/20 0.47
▸ PIP4K2A P48426 1/20 0.44
▸ IL4I1 Q96RQ9 4/20 0.43
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ APLNR P35414 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ IDH1 O75874 1/20 0.40
▸ PLAT P00750 1/20 0.40

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
SCHEMBL24852000 0.81 EGFR (0.55) EGFRERBB2GUSBPIP4K2AIL4I1
SCHEMBL24851907 0.78 GUSB (0.47) EGFRERBB2GUSBIL4I1HPGD
SCHEMBL24851921 0.78 GUSB (0.54) EGFRERBB2GUSBIL4I1IDH1
SCHEMBL24851919 0.77 IL4I1 (0.42) EGFRERBB2GUSBPIP4K2AIL4I1
SCHEMBL24851999 0.77 GUSB (0.56) EGFRERBB2GUSBIL4I1HPGD
SCHEMBL24851962 0.76 IL4I1 (0.51) EGFRERBB2IL4I1HPGDTSHR
SCHEMBL24852507 0.76 IL4I1 (0.51) EGFRIL4I1HPGDTSHRCYP1A2
SCHEMBL24852002 0.75 IL4I1 (0.44) EGFRERBB2GUSBIL4I1HPGD
SCHEMBL24852005 0.75 GUSB (0.47) EGFRERBB2GUSBPIP4K2AIL4I1
SCHEMBL24852008 0.74 GUSB (0.51) EGFRERBB2GUSBIL4I1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 — — US disclosed
EP-4362978-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-05-08 — — EP disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 — — WO disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 — — 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 (1 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-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN EGFR 1388/4885ERBB2 3567/4885GUSB 573/4885

“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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