SCHEMBL20053916

SCHEMBL20053916

CNc1cc2n(n1)CCNC2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.44
CD274 Q9NZQ7 2/20 0.44
SOD3 P08294 1/20 0.37
MAP4K1 Q92918 1/20 0.33
HTR2A P28223 6/20 0.33
HTR2C P28335 6/20 0.33
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL20460995 0.90 PDCD1 (0.36) PDCD1CD274SOD3MAP4K1LRRK2
SCHEMBL27329663 0.85 HTR2C (0.34) PDCD1CD274MAP4K1HTR2AHTR2C
SCHEMBL21017741 0.82 PDCD1 (0.41) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL12307410 0.81 PDCD1 (0.38) PDCD1CD274SOD3MAP4K1
SCHEMBL14930383 0.77 PDCD1 (0.50) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL30793495 0.74 PDCD1 (0.35) PDCD1CD274SOD3
SCHEMBL16221369 0.74 PDCD1 (0.44) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL14925553 0.74 PDCD1 (0.45) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL31739615 0.73 PDCD1 (0.34) PDCD1CD274SOD3HTR2AHTR2C
SCHEMBL25410303 0.73 BAZ2B (0.43) PDCD1CD274SOD3

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
EP-3473624-B1 NOVEL IMIDAZOPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER DAEGU GYEONGBUK MEDICAL INNOVATION FOUND (KR) 2022-05-11 EP disclosed
US-10870647-B2 Imidazopyridine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for preventing or treating cancer DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2020-12-22 US disclosed
US-20190315738-A1 NOVEL IMIDAZOPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2019-10-17 US disclosed
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 EP 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-20190315738-A1 NOVEL IMIDAZOPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER FYN, SRC, LCK PDCD1 869/4885CD274 3264/4885SOD3 3791/4885
US-10870647-B2 Imidazopyridine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for preventing or treating cancer FYN, SRC, LCK PDCD1 748/4885CD274 3040/4885SOD3 3915/4885

“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.