SCHEMBL22280265

SCHEMBL22280265

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHUK O15111 13/20 0.46
LRRK2 Q5S007 2/20 0.43
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
CDC42BPA Q5VT25 2/20 0.37
CDC42BPB Q9Y5S2 2/20 0.37
IKBKB O14920 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
LATS1 O95835 1/20 0.37
LATS2 Q9NRM7 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL24136246 0.80 CHUK (0.68) CHUKLRRK2ROCK2ROCK1CDC42BPA
SCHEMBL22280368 0.78 CHUK (0.51) CHUKLRRK2ROCK2ROCK1CDC42BPA
SCHEMBL22280237 0.76 IRAK4 (0.36) HSP90AB1LATS1LATS2IRAK4
SCHEMBL20343974 0.76 CHUK (0.65) CHUKLRRK2IKBKBIRAK4
SCHEMBL22280369 0.75 CHUK (0.54) CHUKLRRK2ROCK2ROCK1CDC42BPA
SCHEMBL31095312 0.74 CHUK (0.71) CHUKLRRK2ROCK2ROCK1CDC42BPA
SCHEMBL19010829 0.74 CHUK (0.71) CHUKLRRK2ROCK2ROCK1CDC42BPA
SCHEMBL19010828 0.73 CHUK (0.43) CHUKLRRK2ROCK2ROCK1CDC42BPA
SCHEMBL22264377 0.73 LRRK2 (0.53) CHUKLRRK2IRAK4
SCHEMBL22264444 0.73 TTK (0.45) CHUKLRRK2

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 CHUK 653/4885LRRK2 1/4885ROCK2 1138/4885
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 CHUK 653/4885LRRK2 1/4885ROCK2 1138/4885

“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.