SCHEMBL22280202

SCHEMBL22280202

COc1cc(C(=O)N2CCN(C3COC3)CC2)ccc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 2/20 0.56
LRRK2 Q5S007 1/20 0.53
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.51
MGLL Q99685 1/20 0.50
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL21958467 0.85 LRRK2 (0.55) TRPV6LRRK2ALDH1A1KDM4EPOLB
SCHEMBL20682546 0.84 L3MBTL3 (0.58) TRPV6ALDH1A1KDM4EHSP90AA1HSP90AB1
SCHEMBL15651089 0.84 LRRK2 (0.55) TRPV6LRRK2ALDH1A1KDM4EKMT2A
SCHEMBL14329224 0.83 KDM4E (0.58) TRPV6LRRK2ALDH1A1KDM4EHSP90AA1
SCHEMBL17083412 0.83 HSP90AA1 (0.66) LRRK2ALDH1A1MGLLHSP90AA1HSP90AB1
SCHEMBL23997012 0.83 LRRK2 (0.54) TRPV6LRRK2ALDH1A1KDM4EKMT2A
SCHEMBL21738212 0.82 LRRK2 (0.53) TRPV6LRRK2ALDH1A1KDM4EHSP90AA1
SCHEMBL21738213 0.82 LRRK2 (0.53) TRPV6LRRK2ALDH1A1KDM4EKMT2A
SCHEMBL21202578 0.82 POLB (0.60) TRPV6ALDH1A1MGLLHSP90AA1HSP90AB1
SCHEMBL18929936 0.81 HPGD (0.61) ALDH1A1MGLLHSP90AA1HSP90AB1KMT2A

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 TRPV6 2682/4885LRRK2 1/4885ALDH1A1 2010/4885
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 TRPV6 2682/4885LRRK2 1/4885ALDH1A1 2010/4885

“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.