Sugi Predict

Sugi Predict / Compounds / SCHEMBL22953996

SCHEMBL22953996

SCHEMBL22953996

COc1ccc(I)c(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ NNMT P40261 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CLK1 P49759 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ S1PR4 O95977 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
SCHEMBL911440 0.77 HPGD (0.40) HTTALDH1A1TDP1POLBSIRT2
SCHEMBL29581181 0.77 HPGD (0.40) HTTALDH1A1TDP1POLBSIRT2
SCHEMBL18774086 0.76 NNMT (0.48) HTTALDH1A1TDP1POLBSIRT2
SCHEMBL5839510 0.76 POLB (0.50) HTTALDH1A1TDP1POLBSIRT2
SCHEMBL7321008 0.76 CYP1A2 (0.44) HTTALDH1A1TDP1POLBSIRT2
SCHEMBL25097019 0.75 CYP1A2 (0.38) HTTALDH1A1TDP1POLBSIRT2
SCHEMBL15512652 0.74 HTT (0.37) HTTALDH1A1TDP1POLBSIRT2
SCHEMBL12677821 0.74 CYP1A2 (0.39) TDP1POLBSIRT2SIRT1NNMT
SCHEMBL357954 0.74 NNMT (0.39) HTTALDH1A1TDP1POLBSIRT2
SCHEMBL5925877 0.74 POLB (0.36) TDP1POLBSIRT2SIRT1NNMT

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
US-20220259215-A1 PYRROLOPYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN MEDICINE MEDICILON PRECLINICAL RESEARCH (SHANGHAI) LLC. (CN) 2022-08-18 — — US disclosed
CN-112300168-B Pyrrolopyrazole derivative, preparation method and medical application thereof 上海美迪西生物医药股份有限公司 2022-02-25 — — CN disclosed
CN-110117284-B Nitrogen-containing heterocyclic compound and preparation method and application thereof 江苏奥赛康药业有限公司 2021-11-19 — — CN disclosed
WO-2021017069-A1 PYRROLOPYRAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE 上海美迪西生物医药股份有限公司 2021-02-04 — — WO disclosed
WO-2021017069-A1 PYRROLOPYRAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE 上海美迪西生物医药股份有限公司 2021-02-04 — — WO disclosed
CN-112300168-A Pyrrolopyrazole derivative, preparation method and medical application thereof 上海美迪西生物医药股份有限公司 2021-02-02 — — CN disclosed
WO-2019154366-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏奥赛康药业有限公司 2019-08-15 — — 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 (1 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-20220259215-A1 PYRROLOPYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN MEDICINE PGC, GIPR, PGA5 HTT 4379/4885ALDH1A1 1170/4885TDP1 4495/4885

“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.