SCHEMBL22280256

SCHEMBL22280256

CCNc1nc(Cl)nc2[nH]cc(C(F)(F)F)c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.43
IRAK4 Q9NWZ3 1/20 0.36
PGK1 P00558 2/20 0.35
LMNA P02545 1/20 0.35
HSP90AB1 P08238 1/20 0.34
PTPN1 P18031 1/20 0.34
CTSS P25774 3/20 0.33
CTSK P43235 2/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
LRRK2 Q5S007 2/20 0.31
YTHDC1 Q96MU7 1/20 0.31
DYRK3 O43781 1/20 0.31
CSNK1E P49674 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 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
SCHEMBL24136226 0.84 XDH (0.40) DYRK1AIRAK4HSP90AB1PTPN1LRRK2
SCHEMBL30861087 0.80 LMNA (0.40) PGK1LMNAHSP90AB1LRRK2
SCHEMBL27228474 0.80 LMNA (0.40) PGK1LMNAHSP90AB1LRRK2
SCHEMBL22280237 0.77 IRAK4 (0.36) DYRK1AIRAK4HSP90AB1
SCHEMBL22280370 0.76 IRAK4 (0.54) DYRK1AIRAK4CLK4
SCHEMBL18394595 0.76 DYRK1A (0.38) DYRK1AIRAK4HSP90AB1CTSSCTSK
SCHEMBL22182261 0.76 DYRK1A (0.56) DYRK1APGK1LMNAHSP90AB1CTSS
SCHEMBL22280368 0.75 CHUK (0.51) PGK1HSP90AB1LRRK2
SCHEMBL24059429 0.74 IRAK4 (0.49) IRAK4
SCHEMBL5021093 0.71 LRRK2 (0.47) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208412-B2 Pyrrolo-pyrimidine derivative compound, preparation method therefor, and pharmaceutical composition comprising same compound as effective ingredient for preventing or treating protein kinase-related disease DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-12-28 US disclosed
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2020-07-30 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 (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-11208412-B2 Pyrrolo-pyrimidine derivative compound, preparation method therefor, and pharmaceutical composition comprising same compound as effective ingredient for preventing or treating protein kinase-related disease LRRK2, WEE1, WEE2 DYRK1A 897/4885IRAK4 1018/4885PGK1 676/4885
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE LRRK2, WEE1, WEE2 DYRK1A 897/4885IRAK4 1018/4885PGK1 676/4885

“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.