SCHEMBL22280237

SCHEMBL22280237

CC1(Nc2nc(Cl)nc3[nH]cc(C(F)(F)F)c23)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
PDE2A O00408 2/20 0.35
LATS1 O95835 3/20 0.34
LATS2 Q9NRM7 1/20 0.34
HSP90AB1 P08238 1/20 0.33
DYRK1A Q13627 1/20 0.30
CHRM4 P08173 1/20 0.30

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 0.80 XDH (0.40) IRAK4PDE2AHSP90AB1DYRK1A
SCHEMBL22280256 0.77 DYRK1A (0.43) IRAK4HSP90AB1DYRK1A
SCHEMBL22280265 0.76 CHUK (0.46) IRAK4LATS1LATS2HSP90AB1
SCHEMBL22280370 0.76 IRAK4 (0.54) IRAK4DYRK1A
SCHEMBL24059429 0.74 IRAK4 (0.49) IRAK4
SCHEMBL22264378 0.70 DYRK1A (0.35) DYRK1A
SCHEMBL18394595 0.68 DYRK1A (0.38) IRAK4HSP90AB1DYRK1A
SCHEMBL20588419 0.63 HSP90AB1 (0.39) IRAK4HSP90AB1DYRK1A
SCHEMBL17394765 0.62 CHUK (0.54) IRAK4HSP90AB1DYRK1A
SCHEMBL22182524 0.62 DYRK1A (0.41) IRAK4HSP90AB1DYRK1A

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 1018/4885PDE2A 3216/4885LATS1 158/4885
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 1018/4885PDE2A 3216/4885LATS1 158/4885

“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.