SCHEMBL21563376

SCHEMBL21563376

COc1ccn2ncnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.47
EGLN2 Q96KS0 2/20 0.45
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
EGFR P00533 5/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TGFBR1 P36897 1/20 0.35
KIT P10721 4/20 0.34
ERBB2 P04626 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL30613048 0.85 PIK3CD (0.40) PIK3CDEGFRTGFBR1ERBB2PDE10A
SCHEMBL18177582 0.75 ALDH1A1 (0.42) PIK3CDEGFRERBB2KDM4EALDH1A1
SCHEMBL29907348 0.75 ERBB2 (0.46) EGFRERBB2ALDH1A1
SCHEMBL23432223 0.75 TGFBR1 (0.40) PIK3CDTGFBR1PDE10A
SCHEMBL260059 0.75 DNMT1 (0.39) PIK3CDEGLN2CCR1CCR5CCR8
SCHEMBL24167317 0.74 MAOB (0.47) EGLN2ALDH1A1
SCHEMBL15639111 0.74 PIK3CD (0.45) PIK3CDEGLN2TGFBR1KDM4EALDH1A1
SCHEMBL15639536 0.72 MAPT (0.49) PIK3CDEGLN2KITKDM4EALDH1A1
SCHEMBL20172422 0.72 ERBB2 (0.40) EGFRERBB2
SCHEMBL29414877 0.72 ERBB2 (0.48) EGFRERBB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044570-A1 COMPOUNDS AND METHODS FOR MODULATING HER2 IAMBIC THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
US-10822334-B2 ErbB receptor inhibitors DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-11-03 US disclosed
US-20200317669-A1 ERBB RECEPTOR INHIBITORS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-08 US disclosed
WO-2019214634-A1 ERBB RECEPTOR INHIBITORS DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2019-11-14 WO 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-10822334-B2 ErbB receptor inhibitors ERBB2, EGFR, ERBB3 PIK3CD 75/4885EGLN2 2826/4885CCR1 2053/4885
US-20200317669-A1 ERBB RECEPTOR INHIBITORS ERBB2, EGFR, ERBB3 PIK3CD 75/4885EGLN2 2826/4885CCR1 2053/4885

“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.