SCHEMBL22280370

SCHEMBL22280370

FC(F)(F)c1c[nH]c2nc(Cl)nc(NC3CC3)c12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.54
ULK1 O75385 10/20 0.39
CHUK O15111 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ULK2 Q8IYT8 2/20 0.36
DYRK1A Q13627 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
SCHEMBL24059429 0.95 IRAK4 (0.49) IRAK4ULK1CHUKTLR7KMT2A
SCHEMBL30861039 0.81 CHUK (0.42) CHUKKMT2A
SCHEMBL27228487 0.81 CHUK (0.42) CHUKKMT2A
SCHEMBL24136226 0.80 XDH (0.40) IRAK4ULK1CHUKCYP1A2CYP2D6
SCHEMBL1015217 0.77 KMT2A (0.51) IRAK4ULK1CHUKKMT2A
SCHEMBL22280256 0.76 DYRK1A (0.43) IRAK4CLK4DYRK1A
SCHEMBL22280237 0.76 IRAK4 (0.36) IRAK4DYRK1A
SCHEMBL1017289 0.75 CHUK (0.44) CHUKKMT2A
SCHEMBL20343974 0.75 CHUK (0.65) IRAK4CHUK
SCHEMBL13666809 0.73 CHUK (0.42) CHUKKMT2A

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 IRAK4 1018/4885ULK1 995/4885CHUK 653/4885
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 IRAK4 1018/4885ULK1 995/4885CHUK 653/4885

“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.