Sugi Predict

Sugi Predict / Compounds / SCHEMBL8423973

SCHEMBL8423973

SCHEMBL8423973

Clc1nnc(Cl)c2cc3ccccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ CYP2A6 P11509 2/20 0.44
▸ GOT1 P17174 1/20 0.43
▸ PI4KA P42356 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ SOD1 P00441 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ NQO1 P15559 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ESR1 P03372 2/20 0.38

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
SCHEMBL30969482 1.00 MAPT (0.45) MAPTCYP2A6GOT1PI4KAPI4K2B
SCHEMBL31572194 1.00 MAPT (0.45) MAPTCYP2A6GOT1PI4KAPI4K2B
SCHEMBL28471578 0.84 KDM4E (0.44) MAPTALDH1A1HSD17B10KMT2ACYP1A2
SCHEMBL22440004 0.82 MAPT (0.39) MAPTCYP2A6GOT1PI4KAPI4K2B
SCHEMBL31572190 0.82 MAPT (0.39) MAPTCYP2A6GOT1PI4KAPI4K2B
SCHEMBL22440000 0.78 MEN1 (0.71) MAPTTDP1ALDH1A1HSD17B10KMT2A
SCHEMBL31572201 0.78 MEN1 (0.71) MAPTTDP1ALDH1A1HSD17B10KMT2A
SCHEMBL345211 0.77 GOT1 (0.62) MAPTCYP2A6GOT1TDP1ALDH1A1
SCHEMBL29365992 0.77 GOT1 (0.62) MAPTCYP2A6GOT1TDP1ALDH1A1
SCHEMBL15757917 0.75 CYP2A6 (0.50) MAPTCYP2A6TDP1ALDH1A1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115490682-A Hydrogenated (iso) quinine derivative and preparation method thereof 江西农业大学 2022-12-20 — — CN claimed
CN-117942786-A Preparation method of nanofiltration membrane and nanofiltration membrane prepared by same 沃顿科技股份有限公司 2024-04-30 — — CN disclosed
CN-115490682-A Hydrogenated (iso) quinine derivative and preparation method thereof 江西农业大学 2022-12-20 — — CN disclosed
US-11066412-B2 Substituted pyrrolo[2,1-a]phthalazines and benzo[g]pyrrolo[2,1-a]phthalazines for the treatment of cancer ACADEMIA SINICA (TW) 2021-07-20 — — US disclosed
US-11066412-B2 Substituted pyrrolo[2,1-a]phthalazines and benzo[g]pyrrolo[2,1-a]phthalazines for the treatment of cancer ACADEMIA SINICA (TW) 2021-07-20 — — US disclosed
US-20200339584-A1 BIS(HYDROXYMETHYL)PYRROLOPHTHALAZINE HYBRIDS, PREPARATION METHODS AND USES THEREOF ACADEMIA SINICA (TW) 2020-10-29 — — US disclosed
US-20200339584-A1 BIS(HYDROXYMETHYL)PYRROLOPHTHALAZINE HYBRIDS, PREPARATION METHODS AND USES THEREOF ACADEMIA SINICA (TW) 2020-10-29 — — US disclosed
CN-111712246-A Bis (hydroxymethyl) pyrrolophthalazine heterozygote, preparation method and application thereof 中央研究院 2020-09-25 — — CN disclosed
EP-3710005-A1 BIS(HYDROXYMETHYL) PYRROLOPHTHALAZINE HYBRIDS, PREPARATION METHODS AND USES THEREOF Academia Sinica (TW) 2020-09-23 — — EP disclosed
CN-108341806-B Iridium metal complex, application thereof and organic electroluminescent device 清华大学 2020-09-22 — — CN disclosed
WO-2018133579-A1 RUTHENIUM METAL COMPLEX, APPLICATIONS THEREOF, AND ORGANIC ELECTROLUMINESCENT COMPONENT 清华大学 2018-07-26 — — WO disclosed
EP-0440787-B1 COMPOUNDS OF 1,4-BIS(AMINO)BENZO(G)PHTHALAZENE CONSEJO SUPERIOR INVESTIGACION (ES) 1999-10-13 — — EP disclosed
US-5719282-A PARASITICIDES; ANTICANCER AGENTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 1998-02-17 — — US disclosed
EP-0497809-B1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER MANNHEIM ITALIA (IT) 1995-06-28 — — EP disclosed
US-5162320-A 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1992-11-10 — — US disclosed
EP-0497809-A1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES. BOEHRINGER MANNHEIM ITALIA (IT) 1992-08-12 — — EP disclosed
EP-0440787-A1 NEW COMPOUNDS OF 1,4-BIS(AMINO)BENZO(G)PHTHALAZENE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 1991-08-14 — — EP disclosed
WO-1991006540-A1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-05-16 — — 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-11066412-B2 Substituted pyrrolo[2,1-a]phthalazines and benzo[g]pyrrolo[2,1-a]phthalazines for the treatment of cancer NCOR1, NCOR2, CBR1 MAPT 4696/4885CYP2A6 2383/4885GOT1 2918/4885
US-20200339584-A1 BIS(HYDROXYMETHYL)PYRROLOPHTHALAZINE HYBRIDS, PREPARATION METHODS AND USES THEREOF PAICS, DPYD, HMBS MAPT 4188/4885CYP2A6 556/4885GOT1 1079/4885

“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.