SCHEMBL16899237

SCHEMBL16899237

Cc1nn(C)c2cc(N3CCCCC3)c(N)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.51
▸ ADORA2B P29275 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.41
▸ GAA P10253 5/20 0.41
▸ HTT P42858 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ S100B P04271 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ IP6K1 Q92551 1/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ THRB P10828 1/20 0.37

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
SCHEMBL16898926 0.78 ALDH1A1 (0.53) ALDH1A1GAAHTTMAPTMAPK1
SCHEMBL16898843 0.78 IP6K1 (0.41) ALDH1A1GAAHTTMAPTS100B
SCHEMBL15534589 0.76 ADORA2A (0.72) ADORA2AADORA2BHTTMAPTLMNA
SCHEMBL16898947 0.75 ADORA2A (0.38) ADORA2AADORA2B
SCHEMBL16899230 0.73 ADORA2A (0.36) ADORA2AADORA2B
SCHEMBL16899178 0.73 GAA (0.41) ALDH1A1GAAHTTMAPTS100B
SCHEMBL16898664 0.73 GAA (0.41) ALDH1A1GAAHTTMAPTS100B
SCHEMBL16898744 0.71 CDK8 (0.40) ALDH1A1GAAHTTMAPTS100B
SCHEMBL12021865 0.70 ADORA2A (0.62) ADORA2AADORA2BMAPTPKM
SCHEMBL31087998 0.70 BRPF1 (0.55) ALDH1A1GAAHTTMAPTS100B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092226-B1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2019-03-13 — — EP disclosed
US-10160753-B2 Indazole compounds as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-12-25 — — US disclosed
CN-106458982-A Indazole compounds as irak4 inhibitors 奥列基因发现技术有限公司 2017-02-22 — — CN disclosed
EP-3092226-A1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-11-16 — — EP disclosed
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-11-10 — — US disclosed
WO-2015104662-A1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — 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-10160753-B2 Indazole compounds as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 ADORA2A 2938/4885ADORA2B 2902/4885ALDH1A1 1904/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 ADORA2A 2938/4885ADORA2B 2902/4885ALDH1A1 1904/4885

“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.

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