SCHEMBL22280231

SCHEMBL22280231

COc1cc(C(=O)NC2CCN(C)CC2)ccc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.55
IGF1R P08069 1/20 0.53
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
PTK2 Q05397 9/20 0.51
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
HTR7 P34969 1/20 0.50
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL16972143 0.85 PTPN7 (0.56) LRRK2ROCK2ROCK1AURKAAURKB
SCHEMBL22280207 0.85 KMT2A (0.52) PTK2HTR7ALDH1A1NPSR1KMT2A
SCHEMBL24136244 0.84 MAOB (0.50) LRRK2HTR7ALDH1A1KMT2A
SCHEMBL9964598 0.84 BRD4 (0.55) LRRK2IGF1RROCK2ROCK1AURKA
SCHEMBL410671 0.83 AURKA (0.52) LRRK2IGF1RROCK2ROCK1PTK2
SCHEMBL15082471 0.83 AURKA (0.57) LRRK2IGF1RROCK2ROCK1PTK2
SCHEMBL738237 0.83 HTR4 (0.53) LRRK2ROCK2ROCK1PTK2AURKA
SCHEMBL21473640 0.81 PTK2 (0.56) LRRK2IGF1RROCK2ROCK1PTK2
SCHEMBL13880647 0.80 AURKA (0.52) LRRK2ROCK2ROCK1PTK2AURKA
SCHEMBL22182518 0.79 PTK2 (0.52) IGF1RPTK2KMT2A

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 LRRK2 1/4885IGF1R 1336/4885ROCK2 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 LRRK2 1/4885IGF1R 1336/4885ROCK2 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.