SCHEMBL22264349

SCHEMBL22264349

c1cc2cnc(OC3CCOC3)nc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.40
GRM4 Q14833 5/20 0.39
ACACB O00763 1/20 0.39
MKNK2 Q9HBH9 1/20 0.36
BRD4 O60885 3/20 0.36
GRM5 P41594 2/20 0.34
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
JAK3 P52333 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
AKT1 P31749 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL22264365 0.92 TBK1 (0.39) LRRK2GRM4JAK2JAK1JAK3
SCHEMBL25302241 0.81 ACACB (0.39) LRRK2GRM4ACACBMKNK2GRM5
SCHEMBL29848596 0.81 ACACB (0.39) LRRK2GRM4ACACBMKNK2GRM5
SCHEMBL25258670 0.81 ACACB (0.39) LRRK2GRM4ACACBMKNK2GRM5
SCHEMBL4904462 0.80 PRKCZ (0.41) LRRK2GRM4BRD4GRM5AKT1
SCHEMBL4904458 0.80 PRKCZ (0.41) LRRK2GRM4BRD4GRM5AKT1
SCHEMBL2320140 0.75 MKNK2 (0.47) LRRK2ACACBMKNK2GRM5
SCHEMBL30211008 0.75 MKNK2 (0.47) LRRK2ACACBMKNK2GRM5
SCHEMBL2320138 0.75 MKNK2 (0.47) LRRK2ACACBMKNK2GRM5
SCHEMBL22264282 0.74 MAP3K12 (0.41) LRRK2GRM4

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 1/4885GRM4 3020/4885ACACB 3063/4885
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 1/4885GRM4 3020/4885ACACB 3063/4885

“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.