SCHEMBL22280207

SCHEMBL22280207

COc1cc(C(=O)NC2CCN(C3COC3)CC2)ccc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
F10 P00742 2/20 0.49
PTK2 Q05397 1/20 0.46
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR1H4 Q96RI1 2/20 0.44
EPHX2 P34913 1/20 0.44
MCHR1 Q99705 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
SSTR5 P35346 1/20 0.44
HTR7 P34969 1/20 0.44
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
RIPK2 O43353 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL22280231 0.85 LRRK2 (0.55) KMT2APTK2ALDH1A1NPSR1NR1H4
SCHEMBL22182521 0.82 RIPK2 (0.44) KMT2APTK2ALDH1A1RIPK2MAPT
SCHEMBL22280202 0.81 TRPV6 (0.56) KMT2AALDH1A1
SCHEMBL13881274 0.76 F10 (0.60) KMT2AF10PTK2MCHR1BRD4
SCHEMBL13575481 0.76 F10 (0.52) KMT2AF10MCHR1CYP2D6CYP2C9
SCHEMBL12389339 0.74 F10 (0.58) KMT2AF10ALDH1A1NPSR1CYP2D6
SCHEMBL20682546 0.72 L3MBTL3 (0.58) KMT2AALDH1A1EPHX2
SCHEMBL13461288 0.72 SLC6A5 (0.51) KMT2AF10BRD4
SCHEMBL13881189 0.72 KMT2A (0.57) KMT2AF10ALDH1A1CYP2D6CYP2C9
SCHEMBL21610983 0.72 RIPK2 (0.52) KMT2APTK2ALDH1A1BRD4BRD2

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 KMT2A 933/4885F10 3875/4885PTK2 220/4885
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 KMT2A 933/4885F10 3875/4885PTK2 220/4885

“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.