SCHEMBL8981

SCHEMBL8981

Cc1nc2ccc(Br)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TYMS P04818 1/20 0.57
RAB9A P51151 4/20 0.56
LMNA P02545 1/20 0.56
HSP90AA1 P07900 1/20 0.54
ESR2 Q92731 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MMP2 P08253 3/20 0.51
MMP9 P14780 3/20 0.51
MMP8 P22894 3/20 0.51
MMP13 P45452 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL31473884 1.00 ALDH1A1 (0.61) ALDH1A1TYMSRAB9ALMNAHSP90AA1
SCHEMBL8982 0.84 TYMS (0.49) ALDH1A1TYMSRAB9ALMNAHSP90AA1
SCHEMBL2457137 0.79 RAB9A (0.67) ALDH1A1RAB9AHSP90AA1ESR2TDP1
SCHEMBL29727934 0.79 ALDH1A1 (0.66) ALDH1A1RAB9AHSP90AA1ESR2TDP1
SCHEMBL266609 0.79 ALDH1A1 (0.66) ALDH1A1RAB9AHSP90AA1ESR2TDP1
SCHEMBL14474322 0.78 ALDH1A1 (0.54) ALDH1A1TYMSRAB9ALMNAMAPT
SCHEMBL7590755 0.76 ALDH1A1 (0.61) ALDH1A1TYMSRAB9AHSP90AA1ESR2
SCHEMBL1405837 0.76 ALDH1A1 (0.61) ALDH1A1RAB9AHSP90AA1ESR2TDP1
SCHEMBL1925827 0.76 MAPT (0.76) ALDH1A1RAB9AHSP90AA1ESR2TDP1
SCHEMBL8290000 0.76 ALDH1A1 (0.61) ALDH1A1TYMSRAB9AHSP90AA1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119425419-A Metal-organic framework composite membrane for helium and methane mixed gas separation and preparation method and application thereof 苏州大学 2025-02-14 CN claimed
CN-120424484-A Scratch-resistant high-transparency polycarbonate with self-repairing function and preparation method thereof 青岛国恩科技股份有限公司 2025-08-05 CN disclosed
WO-2025122822-A1 THERAPEUTIC ALKALOID COMPOUNDS SENSORIUM THERAPEUTICS, INC. (US) 2025-06-12 WO disclosed
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed
CN-119425419-A Metal-organic framework composite membrane for helium and methane mixed gas separation and preparation method and application thereof 苏州大学 2025-02-14 CN disclosed
US-20240360095-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2024-10-31 US disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
WO-2010135568-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2009118292-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2009-10-01 WO disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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 (4 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA ALDH1A1 3395/4885TYMS 3147/4885RAB9A 1023/4885
US-20240360095-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ALDH1A1 4305/4885TYMS 3171/4885RAB9A 1297/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 ALDH1A1 1694/4885TYMS 588/4885RAB9A 3263/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 ALDH1A1 1934/4885TYMS 1638/4885RAB9A 1962/4885

“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.