SCHEMBL22264282

SCHEMBL22264282

FC(F)(F)c1c[nH]c2nc(OC3CCOC3)ncc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 11/20 0.41
SOS1 Q07889 2/20 0.37
TRPV1 Q8NER1 3/20 0.37
GRM4 Q14833 2/20 0.36
PTK2 Q05397 1/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL22264349 0.74 LRRK2 (0.40) GRM4LRRK2
SCHEMBL25625653 0.69 LRRK2 (0.37) SOS1GRM4LRRK2
SCHEMBL25258670 0.68 ACACB (0.39) GRM4LRRK2
SCHEMBL29848596 0.68 ACACB (0.39) GRM4LRRK2
SCHEMBL25302241 0.68 ACACB (0.39) GRM4LRRK2
SCHEMBL30496634 0.68 PIK3CA (0.42) SOS1GRM4PTK2LRRK2
SCHEMBL29763027 0.68 PIK3CA (0.42) SOS1GRM4PTK2LRRK2
SCHEMBL25613080 0.68 LRRK2 (0.40) MAP3K12SOS1GRM4LRRK2
SCHEMBL25516076 0.66 MKNK2 (0.37) LRRK2
SCHEMBL29763071 0.66 ULK1 (0.44) PTK2

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 MAP3K12 75/4885SOS1 2091/4885TRPV1 1344/4885
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 MAP3K12 75/4885SOS1 2091/4885TRPV1 1344/4885

“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.