SCHEMBL16898946

SCHEMBL16898946

COCCn1nc2cc(F)c([N+](=O)[O-])cc2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MPO P05164 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP2C19 P33261 4/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ CNR1 P21554 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
SCHEMBL16899210 0.81 ADORA2A (0.40) ALDH1A1MAPTPTGESLMNAHTR1A
SCHEMBL16898837 0.80 MAPT (0.43) ALDH1A1POLBMAPTLMNAKDM4E
SCHEMBL2066583 0.68 NPC1 (0.59) ALDH1A1POLBLMNARAB9ANPC1
SCHEMBL3718551 0.68 MAPT (0.56) ALDH1A1POLBMAPTLMNAKDM4E
SCHEMBL21271972 0.68 MAPT (0.36) ALDH1A1MAPTPTGESLMNAHPGD
SCHEMBL15081229 0.68 CREBBP (0.39) ALDH1A1POLBMAPTLMNAKDM4E
SCHEMBL20555764 0.67 HTT (0.50) ALDH1A1POLBLMNANPC1CYP2C19
SCHEMBL89281 0.67 ALDH1A1 (0.44) ALDH1A1POLBMAPTPTGESLMNA
SCHEMBL16899225 0.66 ADORA2A (0.51) ALDH1A1POLBMAPTLMNAKDM4E
SCHEMBL31716743 0.66 GLS (0.42) ALDH1A1MAPTLMNAKDM4ERAB9A

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 5 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
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 ALDH1A1 1904/4885POLB 3591/4885MAPT 1817/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 ALDH1A1 1904/4885POLB 3591/4885MAPT 1817/4885

“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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