SCHEMBL4087754

SCHEMBL4087754

Nc1cccc2cccc(Br)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.45
RPS6KA3 P51812 1/20 0.45
MELK Q14680 1/20 0.45
STK24 Q9Y6E0 1/20 0.45
BACE1 P56817 2/20 0.43
CYP3A4 P08684 6/20 0.42
ALDH1A1 P00352 6/20 0.42
TSHR P16473 5/20 0.42
HSD17B10 Q99714 5/20 0.42
HPGD P15428 3/20 0.42
KEAP1 Q14145 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
AXL P30530 1/20 0.41
TYMS P04818 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL31038488 1.00 JAK2 (0.45) JAK2RPS6KA3MELKSTK24BACE1
SCHEMBL29374267 0.81 ALDH1A1 (0.53) BACE1CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL29349435 0.81 JAK2 (0.54) JAK2RPS6KA3MELKSTK24CYP3A4
SCHEMBL1187339 0.81 ALDH1A1 (0.53) BACE1CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL65699 0.81 JAK2 (0.54) JAK2RPS6KA3MELKSTK24CYP3A4
SCHEMBL8878160 0.79 CYP3A4 (0.42) JAK2RPS6KA3MELKSTK24BACE1
SCHEMBL14742902 0.78 ALDH1A1 (0.59) JAK2RPS6KA3MELKSTK24CYP3A4
Hydrochloric Acid SCHEMBL11277860 0.78 JAK2 (0.52) JAK2RPS6KA3MELKSTK24CYP3A4
Ammonia Solution, Strong SCHEMBL2638226 0.78 JAK2 (0.52) JAK2RPS6KA3MELKSTK24CYP3A4
SCHEMBL9627127 0.78 JAK2 (0.52) JAK2RPS6KA3MELKSTK24CYP3A4

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349684-A Synthetic method of benzo [ c, d ] indole imine derivative 西南林业大学 2022-04-15 CN claimed
CN-113856581-A Preparation device and method of 8-bromo-1-naphthylamine 武汉青风凯默生物医药科技有限公司 2021-12-31 CN claimed
US-12503481-B2 Three-dimensional organic sandwich chirality and its synthetic assembly TEXAS TECH UNIVERSITY SYSTEM (US) 2025-12-23 US disclosed
CN-119350335-B Material with benzopyridine acridine structure and application thereof 烟台九目化学股份有限公司 2025-04-11 CN disclosed
US-20250059196-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-02-20 US disclosed
CN-119350335-A Material with benzopyridine acridine structure and application thereof 烟台九目化学股份有限公司 2025-01-24 CN disclosed
EP-4458819-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-11-06 EP disclosed
CN-118373822-B Material containing benzopyrrole acridine structure and application thereof 烟台九目化学股份有限公司 2024-08-27 CN disclosed
CN-118373822-A Material containing benzopyrrole acridine structure and application thereof 烟台九目化学股份有限公司 2024-07-23 CN disclosed
US-20240182470-A1 KRASG12C MUTANT PROTEIN INHIBITOR, PREARATION AND USE THEREOF YA THERAPEUTICS INC (CN) 2024-06-06 US disclosed
CN-115181106-B Quinazoline KRAS G12D Preparation and application of mutant protein inhibitor 药雅科技(上海)有限公司 2024-04-05 CN disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
CN-1863784-A 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO (JP) 2006-11-15 CN disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US disclosed
EP-0225175-A2 Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-06-10 EP 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 (7 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-20240182470-A1 KRASG12C MUTANT PROTEIN INHIBITOR, PREARATION AND USE THEREOF KRAS, NRAS, HRAS JAK2 305/4885RPS6KA3 703/4885MELK 1165/4885
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 JAK2 2165/4885RPS6KA3 1595/4885MELK 4158/4885
US-12503481-B2 Three-dimensional organic sandwich chirality and its synthetic assembly WNT3, CTNNB1, ORC3 JAK2 3574/4885RPS6KA3 2966/4885MELK 1934/4885
US-20250059196-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, CYP51A1, WEE2 JAK2 1764/4885RPS6KA3 4402/4885MELK 4433/4885
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 JAK2 175/4885RPS6KA3 2227/4885MELK 3543/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 JAK2 2165/4885RPS6KA3 1595/4885MELK 4158/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 JAK2 2165/4885RPS6KA3 1595/4885MELK 4158/4885

“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.