SCHEMBL19920979

SCHEMBL19920979

O=[N+]([O-])c1cccc(-c2cn[nH]c2)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ATM Q13315 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
ROCK2 O75116 1/20 0.40
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGES O14684 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL16207728 0.85 ALDH1A1 (0.56) PIN1MEN1KMT2ANPC1RAB9A
SCHEMBL18202850 0.81 NPC1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6367605 0.79 TDP1 (0.58) MEN1KMT2ARAB9AADRA1DADRA1A
SCHEMBL27388637 0.79 HTR1A (0.55) PIN1MEN1KMT2ANPC1RAB9A
SCHEMBL16207603 0.75 PTGER1 (0.60) MEN1KMT2AALDH1A1
SCHEMBL30008748 0.75 PTGER1 (0.60) MEN1KMT2AALDH1A1
SCHEMBL6284658 0.75 HTR1A (0.50) PIN1MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL3092379 0.74 HTR1A (0.49) PIN1MEN1KMT2ANPC1RAB9A
SCHEMBL28160763 0.74 CYP19A1 (0.48) PIN1MEN1KMT2ANPC1RAB9A
SCHEMBL15871971 0.72 HTR1A (0.53) PIN1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531695-B JAK inhibitors 无锡福祈制药有限公司 2020-03-27 CN disclosed
EP-3290418-B1 JANUS KINASE (JAK) INHIBITORS WUXI FORTUNE PHARMACEUTICAL CO LTD (CN) 2019-05-15 EP disclosed
US-10174036-B2 Substituted pyrazoles as JAK inhibitors Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2019-01-08 US disclosed
US-20180179209-A1 JAK INHIBITORS Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2018-06-28 US disclosed
US-20180179209-A1 JAK INHIBITORS Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2018-06-28 US disclosed
EP-3290418-A1 JAK INHIBITORS Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2018-03-07 EP disclosed
CN-107531695-A JAK INHIBITORS 无锡福祈制药有限公司 2018-01-02 CN 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-10174036-B2 Substituted pyrazoles as JAK inhibitors JAK1, JAK2, JAK3 PIN1 1895/4885MEN1 2451/4885KMT2A 824/4885
US-20180179209-A1 JAK INHIBITORS JAK2, JAK1, JAK3 PIN1 1719/4885MEN1 3379/4885KMT2A 1048/4885

“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.